2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine

C18H15ClN2O — CID 139050818

IUPAC2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine
SMILESCOc1ccc(-c2ncccn2)cc1Cc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O/c1-22-17-8-7-14(18-20-9-4-10-21-18)12-15(17)11-13-5-2-3-6-16(13)19/h2-10,12H,11H2,1H3
InChIKeyYPXTZRXVKJEOOZ-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.40
Rot. Bonds4

About 2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine

2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine (PubChem CID 139050818) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine
PubChem CID139050818
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine
SMILESCOc1ccc(-c2ncccn2)cc1Cc1ccccc1Cl
InChIInChI=1S/C18H15ClN2O/c1-22-17-8-7-14(18-20-9-4-10-21-18)12-15(17)11-13-5-2-3-6-16(13)19/h2-10,12H,11H2,1H3
InChIKeyYPXTZRXVKJEOOZ-UHFFFAOYSA-N
XLogP4.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine 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-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
1-(2-methoxy-5-pyridin-2-ylphenyl)-N-methylmethanamine
CID 63680782
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 54565431
[2-(3,4-dimethoxyphenyl)-3-pyridinyl]methanol
CID 54102100
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134
2-[5-[2-(2-chlorophenyl)acetyl]-2-methoxyphenyl]acetic acid
CID 70494068
(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 7827742
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
2-chloro-3-(3,4-dimethoxyphenyl)pyridine
CID 82087270
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 3162172
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine (CID 139050818) is 2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine is COc1ccc(-c2ncccn2)cc1Cc1ccccc1Cl.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine?
The InChIKey is YPXTZRXVKJEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-22-17-8-7-14(18-20-9-4-10-21-18)12-15(17)11-13-5-2-3-6-16(13)19/h2-10,12H,11H2,1H3.
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine?
2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine has a molecular weight of 310.78 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-4-methoxyphenyl]pyrimidine is sourced from PubChem (CID 139050818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).