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

C12H12N2O2 — CID 63612440

IUPAC4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccccc1-c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-7-5-3-4-6-9(7)10-13-11(15)8(2)12(16)14-10/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyGOYWIQOVJGORPV-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.76
Rot. Bonds1

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

4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 63612440) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
PubChem CID63612440
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccccc1-c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-7-5-3-4-6-9(7)10-13-11(15)8(2)12(16)14-10/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyGOYWIQOVJGORPV-UHFFFAOYSA-N
XLogP1.76
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one (CID 63612440) is 4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one is Cc1ccccc1-c1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is GOYWIQOVJGORPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-5-3-4-6-9(7)10-13-11(15)8(2)12(16)14-10/h3-6H,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(2-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63612440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).