2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid

C13H11ClN2O3 — CID 53214743

IUPAC2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(COc2ccc(Cl)cc2)ncc1C(=O)O
InChIInChI=1S/C13H11ClN2O3/c1-8-11(13(17)18)6-15-12(16-8)7-19-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,17,18)
InChIKeyGYWGHKNCHUTXMY-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.72
Rot. Bonds4

About 2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid

2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 53214743) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid
PubChem CID53214743
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(COc2ccc(Cl)cc2)ncc1C(=O)O
InChIInChI=1S/C13H11ClN2O3/c1-8-11(13(17)18)6-15-12(16-8)7-19-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,17,18)
InChIKeyGYWGHKNCHUTXMY-UHFFFAOYSA-N
XLogP2.72
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid 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-[(4-tert-butylphenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 99976947
1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanone
CID 62771886
2-[(dimethylamino)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 79088609
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 62716397
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
2-(cyclobutyloxymethyl)-4-methylpyrimidine-5-carboxylic acid
CID 165448542
4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid
CID 83181490
4-methyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid
CID 62551774
4-methyl-2-[2-(methylamino)-2-oxoethyl]pyrimidine-5-carboxylic acid
CID 99975572
2-[2-(dimethylamino)-2-oxoethyl]-4-methylpyrimidine-5-carboxylic acid
CID 99975576
2-[(2-chloro-4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxylic acid
CID 63038273

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid (CID 53214743) is 2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(COc2ccc(Cl)cc2)ncc1C(=O)O.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is GYWGHKNCHUTXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8-11(13(17)18)6-15-12(16-8)7-19-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid?
2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 278.70 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 53214743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).