4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one

C7H11N3O — CID 135401759

IUPAC4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)
InChIKeyIFOLNWVBRSCJOJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.43
Rot. Bonds1

About 4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one

4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135401759) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID135401759
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11)
InChIKeyIFOLNWVBRSCJOJ-UHFFFAOYSA-N
XLogP0.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(methylamino)-4-phenyl-1H-pyrimidin-6-one
CID 137000220
6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one
CID 135763969
2-(2,3-dimethylanilino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 135633218
4-methyl-2-(methylamino)-5-(2-methylprop-2-enylideneamino)-1H-pyrimidin-6-one
CID 137148905
4,5-dimethyl-2-[(2-oxooxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136656594
2-(3-aminoanilino)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136925179
2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136741055
5-bromo-4-fluoro-2-(methylamino)-1H-pyrimidin-6-one
CID 135546460
4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135402276
ethane;4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 145166699
2-[(2Z)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136787887
4,5-dimethyl-2-[(4,7,8-trimethyl-5H-cyclohepta[d]pyrimidin-2-yl)amino]-1H-pyrimidin-6-one
CID 144638031

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one (CID 135401759) is 4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one is CNc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of 4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is IFOLNWVBRSCJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-5(2)9-7(8-3)10-6(4)11/h1-3H3,(H2,8,9,10,11).
What are the key properties of 4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one?
4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 153.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135401759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).