5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one

C14H15N3O — CID 135473110

IUPAC5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1
InChIInChI=1S/C14H15N3O/c1-9-11(8-10-5-6-10)14(18)17-13(16-9)12-4-2-3-7-15-12/h2-4,7,10H,5-6,8H2,1H3,(H,16,17,18)
InChIKeyQARBRPHMSCDUIJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.09
Rot. Bonds3

About 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one

5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 135473110) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID135473110
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1
InChIInChI=1S/C14H15N3O/c1-9-11(8-10-5-6-10)14(18)17-13(16-9)12-4-2-3-7-15-12/h2-4,7,10H,5-6,8H2,1H3,(H,16,17,18)
InChIKeyQARBRPHMSCDUIJ-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-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-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 135473110) is 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one is Cc1nc(-c2ccccn2)[nH]c(=O)c1CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is QARBRPHMSCDUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-11(8-10-5-6-10)14(18)17-13(16-9)12-4-2-3-7-15-12/h2-4,7,10H,5-6,8H2,1H3,(H,16,17,18).
What are the key properties of 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one?
5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135473110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).