4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one

C11H11N3O2 — CID 136692328

IUPAC4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc[nH]c(=O)c2C)cn1
InChIInChI=1S/C11H11N3O2/c1-7-10(13-6-14-11(7)15)8-3-4-9(16-2)12-5-8/h3-6H,1-2H3,(H,13,14,15)
InChIKeyMVLNHNPLQNARAA-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.15
Rot. Bonds2

About 4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one

4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136692328) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136692328
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc[nH]c(=O)c2C)cn1
InChIInChI=1S/C11H11N3O2/c1-7-10(13-6-14-11(7)15)8-3-4-9(16-2)12-5-8/h3-6H,1-2H3,(H,13,14,15)
InChIKeyMVLNHNPLQNARAA-UHFFFAOYSA-N
XLogP1.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6-methoxy-3-pyridinyl)-5-methyl-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 4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one (CID 136692328) is 4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one is COc1ccc(-c2nc[nH]c(=O)c2C)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is MVLNHNPLQNARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-10(13-6-14-11(7)15)8-3-4-9(16-2)12-5-8/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one?
4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 217.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).