6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide

C20H19ClN4O — CID 112851418

IUPAC6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cccc(Cl)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19ClN4O/c1-2-11-22-20(26)17-13-18(23-16-10-6-9-15(21)12-16)25-19(24-17)14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyHEISNGZNCOHZMX-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.68
Rot. Bonds6

About 6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide

6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide (PubChem CID 112851418) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
PubChem CID112851418
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cccc(Cl)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19ClN4O/c1-2-11-22-20(26)17-13-18(23-16-10-6-9-15(21)12-16)25-19(24-17)14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyHEISNGZNCOHZMX-UHFFFAOYSA-N
XLogP4.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851443
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851453
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 112851428
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324
6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851430
N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851322
N-butyl-6-(2-fluoroanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852323
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide (CID 112851418) is 6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2cccc(Cl)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is HEISNGZNCOHZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-2-11-22-20(26)17-13-18(23-16-10-6-9-15(21)12-16)25-19(24-17)14-7-4-3-5-8-14/h3-10,12-13H,2,11H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide?
6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).