6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide

C20H16ClN5O — CID 109370132

IUPAC6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccc(Cl)cc2)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C20H16ClN5O/c1-13-24-18(20(27)26-17-8-4-14(11-22)5-9-17)10-19(25-13)23-12-15-2-6-16(21)7-3-15/h2-10H,12H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyUKKYIWJBVHVZRY-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.17
Rot. Bonds5

About 6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide

6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109370132) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109370132
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccc(Cl)cc2)cc(C(=O)Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C20H16ClN5O/c1-13-24-18(20(27)26-17-8-4-14(11-22)5-9-17)10-19(25-13)23-12-15-2-6-16(21)7-3-15/h2-10H,12H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyUKKYIWJBVHVZRY-UHFFFAOYSA-N
XLogP4.17
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109370106
6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278
N-[2-(4-chlorophenyl)ethyl]-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 109372808
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206
2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109306028
4-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 62481548
N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369606
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109360992
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979
6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850402

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide (CID 109370132) is 6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(NCc2ccc(Cl)cc2)cc(C(=O)Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is UKKYIWJBVHVZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c1-13-24-18(20(27)26-17-8-4-14(11-22)5-9-17)10-19(25-13)23-12-15-2-6-16(21)7-3-15/h2-10H,12H2,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 377.84 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).