2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid

C14H14ClN3O2 — CID 82169881

IUPAC2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
SMILESCC(C)Nc1cc(C(=O)O)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O2/c1-8(2)16-12-7-11(14(19)20)17-13(18-12)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyGUUXFLXWMICQRV-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.32
Rot. Bonds4

About 2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid

2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid (PubChem CID 82169881) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
PubChem CID82169881
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
SMILESCC(C)Nc1cc(C(=O)O)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H14ClN3O2/c1-8(2)16-12-7-11(14(19)20)17-13(18-12)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyGUUXFLXWMICQRV-UHFFFAOYSA-N
XLogP3.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(butan-2-ylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82170035
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
CID 46863985
6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82169893
2-(3,4-dichlorophenyl)-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169696
2-[4-(4-fluorophenoxy)phenyl]-6-[(1-methoxy-1-oxopropan-2-yl)amino]pyrimidine-4-carboxylic acid
CID 71283696
N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851537
N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851483
2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112851568
6-(ethylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82169806
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852770
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360404

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid (CID 82169881) is 2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid is CC(C)Nc1cc(C(=O)O)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid?
The InChIKey is GUUXFLXWMICQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8(2)16-12-7-11(14(19)20)17-13(18-12)9-3-5-10(15)6-4-9/h3-8H,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid?
2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid has a molecular weight of 291.74 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82169881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).