2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one

C13H15N3O2 — CID 103240796

IUPAC2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCCCc2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C13H15N3O2/c1-10-15-12(17)9-13(16-10)18-8-2-3-11-4-6-14-7-5-11/h4-7,9H,2-3,8H2,1H3,(H,15,16,17)
InChIKeyJVNUOWFCLNHYPJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.48
Rot. Bonds5

About 2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one

2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one (PubChem CID 103240796) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one
PubChem CID103240796
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCCCc2ccncc2)cc(=O)[nH]1
InChIInChI=1S/C13H15N3O2/c1-10-15-12(17)9-13(16-10)18-8-2-3-11-4-6-14-7-5-11/h4-7,9H,2-3,8H2,1H3,(H,15,16,17)
InChIKeyJVNUOWFCLNHYPJ-UHFFFAOYSA-N
XLogP1.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-4-(3-pyridin-4-ylpropoxy)-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 2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one (CID 103240796) is 2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one is Cc1nc(OCCCc2ccncc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one?
The InChIKey is JVNUOWFCLNHYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-15-12(17)9-13(16-10)18-8-2-3-11-4-6-14-7-5-11/h4-7,9H,2-3,8H2,1H3,(H,15,16,17).
What are the key properties of 2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one?
2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one has a molecular weight of 245.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).