N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide

C22H22N4O2 — CID 112851322

IUPACN-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cccc(C(C)=O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O2/c1-3-12-23-20-14-19(25-21(26-20)16-8-5-4-6-9-16)22(28)24-18-11-7-10-17(13-18)15(2)27/h4-11,13-14H,3,12H2,1-2H3,(H,24,28)(H,23,25,26)
InChIKeyIGNPIGMNFDHLRW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.42
Rot. Bonds7

About N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide

N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 112851322) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID112851322
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cccc(C(C)=O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O2/c1-3-12-23-20-14-19(25-21(26-20)16-8-5-4-6-9-16)22(28)24-18-11-7-10-17(13-18)15(2)27/h4-11,13-14H,3,12H2,1-2H3,(H,24,28)(H,23,25,26)
InChIKeyIGNPIGMNFDHLRW-UHFFFAOYSA-N
XLogP4.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324
N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853174
methyl 4-[[2-phenyl-6-(propylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 112851328
N-(1,3-benzodioxol-5-yl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851331
N-(3-fluorophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853177
N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851336
6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide
CID 112852608
N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853183
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
methyl 3-[[2-phenyl-6-(propylamino)pyrimidin-4-yl]amino]benzoate
CID 112879265
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide (CID 112851322) is N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)Nc2cccc(C(C)=O)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is IGNPIGMNFDHLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-12-23-20-14-19(25-21(26-20)16-8-5-4-6-9-16)22(28)24-18-11-7-10-17(13-18)15(2)27/h4-11,13-14H,3,12H2,1-2H3,(H,24,28)(H,23,25,26).
What are the key properties of N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).