5-methyl-2-(methylamino)-1H-pyrimidin-6-one

C6H9N3O — CID 21304629

IUPAC5-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-4-3-8-6(7-2)9-5(4)10/h3H,1-2H3,(H2,7,8,9,10)
InChIKeyDVSFQYZVEMNFFZ-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.12
Rot. Bonds1

About 5-methyl-2-(methylamino)-1H-pyrimidin-6-one

5-methyl-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 21304629) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-methyl-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID21304629
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-methyl-2-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-4-3-8-6(7-2)9-5(4)10/h3H,1-2H3,(H2,7,8,9,10)
InChIKeyDVSFQYZVEMNFFZ-UHFFFAOYSA-N
XLogP0.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-(methylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-(methylamino)-1H-pyrimidin-6-one (CID 21304629) is 5-methyl-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-(methylamino)-1H-pyrimidin-6-one is CNc1ncc(C)c(=O)[nH]1.
What is the InChIKey of 5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is DVSFQYZVEMNFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-3-8-6(7-2)9-5(4)10/h3H,1-2H3,(H2,7,8,9,10).
What are the key properties of 5-methyl-2-(methylamino)-1H-pyrimidin-6-one?
5-methyl-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 139.16 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 21304629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).