N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide

C23H22N4O3 — CID 58148531

IUPACN-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H22N4O3/c1-16(28)18-9-5-6-10-19(18)25-23(29)20-15-21(27-11-13-30-14-12-27)26-22(24-20)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3,(H,25,29)
InChIKeyPPKIUVHPPXFWDV-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.44
Rot. Bonds5

About N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide

N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide (PubChem CID 58148531) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
PubChem CID58148531
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cc(N2CCOCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H22N4O3/c1-16(28)18-9-5-6-10-19(18)25-23(29)20-15-21(27-11-13-30-14-12-27)26-22(24-20)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3,(H,25,29)
InChIKeyPPKIUVHPPXFWDV-UHFFFAOYSA-N
XLogP3.44
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853445
6-morpholin-4-yl-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851592
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853415
methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109365464
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853043
N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365478
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide (CID 58148531) is N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide is CC(=O)c1ccccc1NC(=O)c1cc(N2CCOCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is PPKIUVHPPXFWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-16(28)18-9-5-6-10-19(18)25-23(29)20-15-21(27-11-13-30-14-12-27)26-22(24-20)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3,(H,25,29).
What are the key properties of N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide?
N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 58148531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).