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

C22H23N5O2 — CID 112851324

IUPACN-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cccc(NC(C)=O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23N5O2/c1-3-12-23-20-14-19(26-21(27-20)16-8-5-4-6-9-16)22(29)25-18-11-7-10-17(13-18)24-15(2)28/h4-11,13-14H,3,12H2,1-2H3,(H,24,28)(H,25,29)(H,23,26,27)
InChIKeyOKIDFLLZBKJDHJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.18
Rot. Bonds7

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

N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 112851324) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID112851324
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2cccc(NC(C)=O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23N5O2/c1-3-12-23-20-14-19(26-21(27-20)16-8-5-4-6-9-16)22(29)25-18-11-7-10-17(13-18)24-15(2)28/h4-11,13-14H,3,12H2,1-2H3,(H,24,28)(H,25,29)(H,23,26,27)
InChIKeyOKIDFLLZBKJDHJ-UHFFFAOYSA-N
XLogP4.18
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851322
methyl 4-[[2-phenyl-6-(propylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 112851328
N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853174
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
N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853183
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
N,2-diphenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852023
6-(tert-butylamino)-N-(3-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854283
6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851418

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide (CID 112851324) is N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)Nc2cccc(NC(C)=O)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is OKIDFLLZBKJDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-3-12-23-20-14-19(26-21(27-20)16-8-5-4-6-9-16)22(29)25-18-11-7-10-17(13-18)24-15(2)28/h4-11,13-14H,3,12H2,1-2H3,(H,24,28)(H,25,29)(H,23,26,27).
What are the key properties of N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).