4-Amino-5-cyanopyrimidine

C₅H₄N₄CAS 16357-69-0120.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄N₄
Molar mass: 120.11 g/mol
Exact mass: 120.0436 Da
Melting point: 250 °C
logP: -0.24Crippen estimate
Polar surface area: 76.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled38.4% of notifiers
H302 Harmful if swallowed98.6% of notifiers
H312 Harmful in contact with skin98.6% of notifiers
H315 Causes skin irritation94.5% of notifiers
H317 May cause an allergic skin reaction93.2% of notifiers
H318 Causes serious eye damage93.2% of notifiers
H332 Harmful if inhaled98.6% of notifiers
H335 May cause respiratory irritation93.2% of notifiers

Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16357-69-0

SMILES

N#Cc1c[nH]cnc1=N

InChIKey

JAIYUIOGVNRXEW-UHFFFAOYSA-N

InChI

InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)

Weigh it out

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

Names and synonyms

2 names

5-Pyrimidinecarbonitrile, 4-amino-
4-Amino-5-pyrimidinecarbonitrile

Work with 4-Amino-5-cyanopyrimidine

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

1H-Imidazole-5-carbonitrile57090-88-750 % similar 4-Amino-2-methyl-5-pyrimidinecarbonitrile698-29-349 % similar 4-Amino-2-bromo-5-pyrimidinecarbonitrile94741-70-547 % similar 3-Amino-4-cyanopyrazole16617-46-238 % similar Pyridine-2,3-dicarbonitrile17132-78-434 % similar 2,3-Dicyanopyrazine13481-25-933 % similar 7-Azaindole-3-carbonitrile4414-89-533 % similar 2,4-Dichloro-5-cyanopyrimidine3177-24-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Purine120-73-0 3-Aminopyrazine-2-carbonitrile25911-65-3 1H-1,2,3-Triazolo(4,5-b)pyridine273-34-7 5-Aminopyrimidine-2-carbonitrile56621-93-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook