(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone

C12H9ClN2O2 — CID 63988733

IUPAC(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone
SMILESCOc1ccc(Cl)cc1C(=O)c1ccncn1
InChIInChI=1S/C12H9ClN2O2/c1-17-11-3-2-8(13)6-9(11)12(16)10-4-5-14-7-15-10/h2-7H,1H3
InChIKeyVLMVLFBSIOGCOX-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.37
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone

(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone (PubChem CID 63988733) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone
PubChem CID63988733
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone
SMILESCOc1ccc(Cl)cc1C(=O)c1ccncn1
InChIInChI=1S/C12H9ClN2O2/c1-17-11-3-2-8(13)6-9(11)12(16)10-4-5-14-7-15-10/h2-7H,1H3
InChIKeyVLMVLFBSIOGCOX-UHFFFAOYSA-N
XLogP2.37
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-methoxyphenyl)-pyrimidin-4-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

(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
5-chloro-2-methoxybenzoate
CID 6933314
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene
CID 3015769
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43339476
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(5-chloro-2-methoxyphenyl)-imidazol-1-ylmethanone
CID 68987646
(5-chloro-2-methoxyphenyl)-(2-chloro-6-methyl-4-pyridinyl)methanone
CID 58962380

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone (CID 63988733) is (5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone is COc1ccc(Cl)cc1C(=O)c1ccncn1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone?
The InChIKey is VLMVLFBSIOGCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-17-11-3-2-8(13)6-9(11)12(16)10-4-5-14-7-15-10/h2-7H,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone?
(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone has a molecular weight of 248.67 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone is sourced from PubChem (CID 63988733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).