4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one

C11H11N3O2 — CID 81313246

IUPAC4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(O)c(C)c(=O)[nH]2)nc1
InChIInChI=1S/C11H11N3O2/c1-6-3-4-8(12-5-6)9-13-10(15)7(2)11(16)14-9/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyYECJFVOKQQKLJY-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.15
Rot. Bonds1

About 4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one (PubChem CID 81313246) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
PubChem CID81313246
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2nc(O)c(C)c(=O)[nH]2)nc1
InChIInChI=1S/C11H11N3O2/c1-6-3-4-8(12-5-6)9-13-10(15)7(2)11(16)14-9/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyYECJFVOKQQKLJY-UHFFFAOYSA-N
XLogP1.15
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-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-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one (CID 81313246) is 4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one is Cc1ccc(-c2nc(O)c(C)c(=O)[nH]2)nc1.
What is the InChIKey of 4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
The InChIKey is YECJFVOKQQKLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-6-3-4-8(12-5-6)9-13-10(15)7(2)11(16)14-9/h3-5H,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one has a molecular weight of 217.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(5-methyl-2-pyridinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 81313246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).