3-methyl-6-(methylamino)pyrimidin-4-one

C6H9N3O — CID 55288147

IUPAC3-methyl-6-(methylamino)pyrimidin-4-one
SMILESCNc1cc(=O)n(C)cn1
InChIInChI=1S/C6H9N3O/c1-7-5-3-6(10)9(2)4-8-5/h3-4,7H,1-2H3
InChIKeyXEQGJDGJYQADAA-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.18
Rot. Bonds1

About 3-methyl-6-(methylamino)pyrimidin-4-one

3-methyl-6-(methylamino)pyrimidin-4-one (PubChem CID 55288147) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 3-methyl-6-(methylamino)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-(methylamino)pyrimidin-4-one
PubChem CID55288147
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name3-methyl-6-(methylamino)pyrimidin-4-one
SMILESCNc1cc(=O)n(C)cn1
InChIInChI=1S/C6H9N3O/c1-7-5-3-6(10)9(2)4-8-5/h3-4,7H,1-2H3
InChIKeyXEQGJDGJYQADAA-UHFFFAOYSA-N
XLogP-0.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(methylamino)pyrimidin-4-one?
The IUPAC name of 3-methyl-6-(methylamino)pyrimidin-4-one (CID 55288147) is 3-methyl-6-(methylamino)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-(methylamino)pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-(methylamino)pyrimidin-4-one is CNc1cc(=O)n(C)cn1.
What is the InChIKey of 3-methyl-6-(methylamino)pyrimidin-4-one?
The InChIKey is XEQGJDGJYQADAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-7-5-3-6(10)9(2)4-8-5/h3-4,7H,1-2H3.
What are the key properties of 3-methyl-6-(methylamino)pyrimidin-4-one?
3-methyl-6-(methylamino)pyrimidin-4-one has a molecular weight of 139.16 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(methylamino)pyrimidin-4-one is sourced from PubChem (CID 55288147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).