4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid

C20H17ClN2O3 — CID 142721426

IUPAC4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccc(OCCc3ccc(Cl)cc3)cc2)nc(C(=O)O)n1
InChIInChI=1S/C20H17ClN2O3/c1-13-12-18(23-19(22-13)20(24)25)15-4-8-17(9-5-15)26-11-10-14-2-6-16(21)7-3-14/h2-9,12H,10-11H2,1H3,(H,24,25)
InChIKeyQUBDVLSOQZCXKX-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.43
Rot. Bonds6

About 4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid

4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid (PubChem CID 142721426) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid
PubChem CID142721426
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccc(OCCc3ccc(Cl)cc3)cc2)nc(C(=O)O)n1
InChIInChI=1S/C20H17ClN2O3/c1-13-12-18(23-19(22-13)20(24)25)15-4-8-17(9-5-15)26-11-10-14-2-6-16(21)7-3-14/h2-9,12H,10-11H2,1H3,(H,24,25)
InChIKeyQUBDVLSOQZCXKX-UHFFFAOYSA-N
XLogP4.43
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-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

3-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]propanoic acid
CID 98020477
2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
CID 72937831
2-chloro-4-[4-(4-chlorophenoxy)phenyl]-6-methylpyrimidine
CID 71493533
4-(4-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 108749716
2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
CID 7351431
5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole
CID 142805619
3-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-1-methoxy-1-methylurea
CID 12953558
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
CID 142678583
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-[4-[2-[4-[(4-chlorophenyl)diazenyl]phenoxy]ethyl]phenoxy]-2-methylpropanoic acid
CID 155535303
3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid
CID 82192909

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid?
The IUPAC name of 4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid (CID 142721426) is 4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid?
The canonical SMILES for 4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid is Cc1cc(-c2ccc(OCCc3ccc(Cl)cc3)cc2)nc(C(=O)O)n1.
What is the InChIKey of 4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid?
The InChIKey is QUBDVLSOQZCXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-13-12-18(23-19(22-13)20(24)25)15-4-8-17(9-5-15)26-11-10-14-2-6-16(21)7-3-14/h2-9,12H,10-11H2,1H3,(H,24,25).
What are the key properties of 4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid?
4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid has a molecular weight of 368.82 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid is sourced from PubChem (CID 142721426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).