Cytosine

C₄H₅N₃OCAS 71-30-7111.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅N₃O
Molar mass: 111.10 g/mol
Exact mass: 111.0433 Da
Melting point: 322.5 °C (decomposes)
logP: -0.41Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation86.4% of notifiers
H319 Causes serious eye irritation86.4% of notifiers
H335 May cause respiratory irritation84.7% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

71-30-7

SMILES

N=c1ccnc(O)[nH]1

InChIKey

OPTASPLRGRRNAP-UHFFFAOYSA-N

InChI

InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

Weigh it out

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

Names and synonyms

12 names

2(1H)-Pyrimidinone, 6-amino-
2(1H)-Pyrimidinone, 4-amino-
6-Amino-2(1H)-pyrimidinone
4-Amino-2-hydroxypyrimidine
4-Amino-2-oxo-1,2-dihydropyrimidine
4-Amino-2(1H)-pyrimidinone
Cytosinimine
4-Aminouracil
NSC 27787
4-Amino-1H-pyrimidin-2-one
Cytosines
2-Hydroxy-4-pyrimidinamine

Work with Cytosine

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

Similar compounds

2-Thiocytosine333-49-352 % similar 2-O-Methylcytosine3289-47-247 % similar 6-Amino-1,3,5-triazin-2(1H)-one931-86-243 % similar 5-Bromocytosine2240-25-739 % similar 5-Methylcytosine554-01-839 % similar 1,3-Dihydro-2H-imidazol-2-one5918-93-439 % similar 6-Amino-5-iodo-2(1H)-pyrimidinone1122-44-738 % similar Flucytosine2022-85-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Isocytosine108-53-2 6-Amino-4(3H)-pyrimidinone1193-22-2 2-Amino-5-hydroxypyrimidine143489-45-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia