4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one

C10H9N3O — CID 135472985

IUPAC4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ccccn2)n1
InChIInChI=1S/C10H9N3O/c1-7-6-9(14)13-10(12-7)8-4-2-3-5-11-8/h2-6H,1H3,(H,12,13,14)
InChIKeyDQUCWFVHSABFCW-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.14
Rot. Bonds1

About 4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one

4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 135472985) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID135472985
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ccccn2)n1
InChIInChI=1S/C10H9N3O/c1-7-6-9(14)13-10(12-7)8-4-2-3-5-11-8/h2-6H,1H3,(H,12,13,14)
InChIKeyDQUCWFVHSABFCW-UHFFFAOYSA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 135472985) is 4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2ccccn2)n1.
What is the InChIKey of 4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is DQUCWFVHSABFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-7-6-9(14)13-10(12-7)8-4-2-3-5-11-8/h2-6H,1H3,(H,12,13,14).
What are the key properties of 4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 187.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135472985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).