(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone

C15H14N2O — CID 114601750

IUPAC(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)c1ccccc1C1CCC1
InChIInChI=1S/C15H14N2O/c18-14(15-16-9-4-10-17-15)13-8-2-1-7-12(13)11-5-3-6-11/h1-2,4,7-11H,3,5-6H2
InChIKeyYRUGOBJHJOEFKS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.98
Rot. Bonds3

About (2-cyclobutylphenyl)-pyrimidin-2-ylmethanone

(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone (PubChem CID 114601750) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
PubChem CID114601750
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
SMILESO=C(c1ncccn1)c1ccccc1C1CCC1
InChIInChI=1S/C15H14N2O/c18-14(15-16-9-4-10-17-15)13-8-2-1-7-12(13)11-5-3-6-11/h1-2,4,7-11H,3,5-6H2
InChIKeyYRUGOBJHJOEFKS-UHFFFAOYSA-N
XLogP2.98
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-cyclobutylphenyl)-pyrimidin-2-ylmethanone 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-cyclohexylphenyl)-phenylmethanone
CID 22506424
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
(2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone
CID 114601779
4-chloro-1-(2-cyclobutylphenyl)butan-1-one
CID 114601922
(2-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanone
CID 114602090
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
CID 114601765
(2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone
CID 105134655
(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate
CID 88809968
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
2-(4-aminocycloheptyl)benzoic acid
CID 115039628
(2-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
CID 114602101
(2-cyclobutylphenyl)-(4-methoxyphenyl)methanone
CID 114601682

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-pyrimidin-2-ylmethanone?
The IUPAC name of (2-cyclobutylphenyl)-pyrimidin-2-ylmethanone (CID 114601750) is (2-cyclobutylphenyl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (2-cyclobutylphenyl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (2-cyclobutylphenyl)-pyrimidin-2-ylmethanone is O=C(c1ncccn1)c1ccccc1C1CCC1.
What is the InChIKey of (2-cyclobutylphenyl)-pyrimidin-2-ylmethanone?
The InChIKey is YRUGOBJHJOEFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-14(15-16-9-4-10-17-15)13-8-2-1-7-12(13)11-5-3-6-11/h1-2,4,7-11H,3,5-6H2.
What are the key properties of (2-cyclobutylphenyl)-pyrimidin-2-ylmethanone?
(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone has a molecular weight of 238.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 114601750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).