2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

C14H14N2O2 — CID 79416999

IUPAC2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(C3CC3)[nH]c2=O)c1
InChIInChI=1S/C14H14N2O2/c1-8-3-2-4-10(7-8)11-13(17)15-12(9-5-6-9)16-14(11)18/h2-4,7,9H,5-6H2,1H3,(H2,15,16,17,18)
InChIKeyOFUMUWOOBXEZBZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.33
Rot. Bonds2

About 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 79416999) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
PubChem CID79416999
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1cccc(-c2c(O)nc(C3CC3)[nH]c2=O)c1
InChIInChI=1S/C14H14N2O2/c1-8-3-2-4-10(7-8)11-13(17)15-12(9-5-6-9)16-14(11)18/h2-4,7,9H,5-6H2,1H3,(H2,15,16,17,18)
InChIKeyOFUMUWOOBXEZBZ-UHFFFAOYSA-N
XLogP2.33
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-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

Related Compounds

2-cyclopentyl-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 65429882
2-(2-aminopropan-2-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79417630
4-hydroxy-5-phenyl-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 65431755
5-(2-bromophenyl)-2-cyclopropyl-4-hydroxy-1H-pyrimidin-6-one
CID 79439110
5-(3-bromophenyl)-4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 79432183
4-hydroxy-2-(2-methylcyclopropyl)-5-phenyl-1H-pyrimidin-6-one
CID 65430258
2-cyclobutyl-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79437607
2-(furan-3-yl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79417178
2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79422302
5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 107925383
1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 112598408
5-(3-fluorophenyl)-4-hydroxy-2-(thian-2-yl)-1H-pyrimidin-6-one
CID 80620344

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one (CID 79416999) is 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is Cc1cccc(-c2c(O)nc(C3CC3)[nH]c2=O)c1.
What is the InChIKey of 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is OFUMUWOOBXEZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-3-2-4-10(7-8)11-13(17)15-12(9-5-6-9)16-14(11)18/h2-4,7,9H,5-6H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 242.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79416999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).