N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide

C22H22N4O3 — CID 112853174

IUPACN-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2cccc(C(C)=O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c1-15(27)17-9-6-10-18(13-17)24-22(28)19-14-20(23-11-12-29-2)26-21(25-19)16-7-4-3-5-8-16/h3-10,13-14H,11-12H2,1-2H3,(H,24,28)(H,23,25,26)
InChIKeyYCXMNDLDBLEFKJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.66
Rot. Bonds8

About N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide

N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853174) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853174
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2cccc(C(C)=O)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c1-15(27)17-9-6-10-18(13-17)24-22(28)19-14-20(23-11-12-29-2)26-21(25-19)16-7-4-3-5-8-16/h3-10,13-14H,11-12H2,1-2H3,(H,24,28)(H,23,25,26)
InChIKeyYCXMNDLDBLEFKJ-UHFFFAOYSA-N
XLogP3.66
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851322
N-(3-fluorophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853177
N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853183
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
methyl 3-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzoate
CID 112880344
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
N-[4-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112880342
methyl 4-[[2-phenyl-6-(propylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 112851328
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109364699
6-(3-acetylanilino)-N-butan-2-yl-2-phenylpyrimidine-4-carboxamide
CID 112852608

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide (CID 112853174) is N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide is COCCNc1cc(C(=O)Nc2cccc(C(C)=O)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is YCXMNDLDBLEFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(27)17-9-6-10-18(13-17)24-22(28)19-14-20(23-11-12-29-2)26-21(25-19)16-7-4-3-5-8-16/h3-10,13-14H,11-12H2,1-2H3,(H,24,28)(H,23,25,26).
What are the key properties of N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).