2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid

C14H12Cl2N2O2 — CID 107918025

IUPAC2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid
SMILESCCCc1nc(-c2cc(Cl)cc(Cl)c2)ncc1C(=O)O
InChIInChI=1S/C14H12Cl2N2O2/c1-2-3-12-11(14(19)20)7-17-13(18-12)8-4-9(15)6-10(16)5-8/h4-7H,2-3H2,1H3,(H,19,20)
InChIKeyLXEKJPIKDBDNJF-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.10
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid

2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid (PubChem CID 107918025) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid
PubChem CID107918025
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid
SMILESCCCc1nc(-c2cc(Cl)cc(Cl)c2)ncc1C(=O)O
InChIInChI=1S/C14H12Cl2N2O2/c1-2-3-12-11(14(19)20)7-17-13(18-12)8-4-9(15)6-10(16)5-8/h4-7H,2-3H2,1H3,(H,19,20)
InChIKeyLXEKJPIKDBDNJF-UHFFFAOYSA-N
XLogP4.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dichlorophenyl)-4-propylpyrimidine-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-(3,4-dihydroxyphenyl)-4-propylpyrimidine-5-carboxylic acid
CID 136889195
2-(4-ethylsulfanylphenyl)-4-propylpyrimidine-5-carboxylic acid
CID 106849450
ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107918029
ethyl 2-(4-chlorophenyl)-4-propylpyrimidine-5-carboxylate
CID 102972636
2-butyl-4-propylpyrimidine-5-carboxylic acid
CID 79412122
6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533201
2-(1-phenylcyclopropyl)-4-propylpyrimidine-5-carboxylic acid
CID 63080465
4-propyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylic acid
CID 91888329
4-propyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid
CID 79964753
2-(4-chlorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169167
ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate
CID 102972665
4-propyl-2-(pyridin-4-ylmethyl)pyrimidine-5-carboxylic acid
CID 55086619

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid (CID 107918025) is 2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid is CCCc1nc(-c2cc(Cl)cc(Cl)c2)ncc1C(=O)O.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid?
The InChIKey is LXEKJPIKDBDNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-2-3-12-11(14(19)20)7-17-13(18-12)8-4-9(15)6-10(16)5-8/h4-7H,2-3H2,1H3,(H,19,20).
What are the key properties of 2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid?
2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid has a molecular weight of 311.17 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 107918025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).