4,6-Diaminopyrimidin-2(1H)-one

C₄H₆N₄OCAS 31458-45-4126.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆N₄O
Molar mass: 126.12 g/mol
Exact mass: 126.0542 Da
logP: -1.07Crippen estimate
Polar surface area: 97.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

31458-45-4

SMILES

C1=C(NC(=O)N=C1N)N

InChIKey

OKSVBJJXPDBPKN-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N4O/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)

Weigh it out

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

Names and synonyms

1 names

4,6-Diamino-2-pyrimidinol

Work with 4,6-Diaminopyrimidin-2(1H)-one

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

4-Amino-2-(methylthio)-6-pyrimidinol1074-41-538 % similar 4,6-Diamino-2-mercaptopyrimidine1004-39-334 % similar 2,6-Diamino-4(3H)-pyrimidinethione56-08-633 % similar 6-Amino-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione21236-97-532 % similar 4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate65802-56-432 % similar 2-(Methylthio)-4,6-pyrimidinediamine1005-39-632 % similar 2,4,6-Triaminopyrimidine1004-38-230 % similar 6-Amino-2-hydroxypyridine5154-00-730 % similar

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

Same formula

4,5-Diamino-6-hydroxypyrimidine1672-50-0 4-Hydroxy-6-hydrazinylpyrimidine29939-37-5 6-Hydrazinyl-2(1H)-pyrimidinone3310-41-6 5-Aminoimidazole-4-carboxamide360-97-4 2,4-Diamino-6-hydroxypyrimidine56-06-4 2,4-Diaminopyrimidine 3-N-oxide74638-76-9

Elsewhere

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