5-Methylcytosine

C5H7N3OCAS 554-01-8125.13 g/mol

Open in Covalent MOL file
NOHNHHN
Phenol

Properties

Molecular formula
C5H7N3O
Molar mass
125.13 g/mol
Exact mass
125.0589 Da
Melting point
270 °C (decomposes)
logP
-0.10Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
554-01-8
SMILES
Cc1cnc(O)[nH]c1=N
InChIKey
LRSASMSXMSNRBT-UHFFFAOYSA-N
InChI
InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2(1H)-Pyrimidinone, 6-amino-5-methyl-
  • Cytosine, 5-methyl-
  • 2(1H)-Pyrimidinone, 4-amino-5-methyl-
  • 6-Amino-5-methyl-2(1H)-pyrimidinone
  • 4-Amino-5-methyl-2(1H)-pyrimidinone
  • 4-Amino-2-hydroxy-5-methylpyrimidine
  • NSC 137776

Work with 5-Methylcytosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-Methylcytosine hydrochloride58366-64-6Salt

Similar compounds

6-Amino-5-iodo-2(1H)-pyrimidinone1122-44-763 % similar 5-Bromocytosine2240-25-760 % similar Flucytosine2022-85-758 % similar 1,3-Dihydro-4-methyl-2H-imidazol-2-one1192-34-352 % similar Toxopyrimidine73-67-644 % similar 6-Amino-1,3,5-triazin-2(1H)-one931-86-241 % similar 4-Amino-2-methyl-5-pyrimidinemethanamine95-02-341 % similar Cytosine71-30-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-pyrimidinemethanol120747-85-5 2-Amino-5-methoxypyrimidine13418-77-4 4-Methoxy-2-pyrimidinamine155-90-8 1-Amino-1H-pyrrole-2-carboxamide159326-69-9 2-O-Methylcytosine3289-47-2 2-Amino-6-methylpyrimidin-4-one3977-29-5 2-Methoxypyrimidin-5-amine56621-89-7 6-Methoxypyrazinamine6905-47-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia