6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide

C20H20N4O — CID 112851408

IUPAC6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-2-13-21-20(25)17-14-18(22-16-11-7-4-8-12-16)24-19(23-17)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyPYEFQKUIEUSNQV-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.03
Rot. Bonds6

About 6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide

6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide (PubChem CID 112851408) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
PubChem CID112851408
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-2-13-21-20(25)17-14-18(22-16-11-7-4-8-12-16)24-19(23-17)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyPYEFQKUIEUSNQV-UHFFFAOYSA-N
XLogP4.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851418
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851443
6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851453
2-phenyl-6-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 112851428
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
6-(2,5-dimethoxyanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851430
N-butyl-6-(2-fluoroanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852323
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851378
6-(4-acetylanilino)-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852193
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324

Frequently Asked Questions

What is the IUPAC name of 6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide (CID 112851408) is 6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is PYEFQKUIEUSNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-13-21-20(25)17-14-18(22-16-11-7-4-8-12-16)24-19(23-17)15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide?
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).