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

C21H19N5O2 — CID 112853183

IUPACN-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2cccc(C#N)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H19N5O2/c1-28-11-10-23-19-13-18(25-20(26-19)16-7-3-2-4-8-16)21(27)24-17-9-5-6-15(12-17)14-22/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyZEQKPVDZOQEMFA-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.33
Rot. Bonds7

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

N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853183) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853183
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2cccc(C#N)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H19N5O2/c1-28-11-10-23-19-13-18(25-20(26-19)16-7-3-2-4-8-16)21(27)24-17-9-5-6-15(12-17)14-22/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyZEQKPVDZOQEMFA-UHFFFAOYSA-N
XLogP3.33
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.33
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)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853174
N-(3-fluorophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853177
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324
N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851322
N-(3-cyanophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353666
6-[butyl(methyl)amino]-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854397
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109364699
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
methyl 4-[[2-phenyl-6-(propylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 112851328
N-(2-cyanophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851336

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide (CID 112853183) is N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide is COCCNc1cc(C(=O)Nc2cccc(C#N)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is ZEQKPVDZOQEMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-11-10-23-19-13-18(25-20(26-19)16-7-3-2-4-8-16)21(27)24-17-9-5-6-15(12-17)14-22/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide?
N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).