N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

C19H17ClN4O — CID 109256282

IUPACN-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)Nc3ccccc3Cl)cn2)cc1
InChIInChI=1S/C19H17ClN4O/c1-13-6-8-14(9-7-13)10-21-19-22-11-15(12-23-19)18(25)24-17-5-3-2-4-16(17)20/h2-9,11-12H,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyQHQLBBYBWHZCGB-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.30
Rot. Bonds5

About N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109256282) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109256282
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)Nc3ccccc3Cl)cn2)cc1
InChIInChI=1S/C19H17ClN4O/c1-13-6-8-14(9-7-13)10-21-19-22-11-15(12-23-19)18(25)24-17-5-3-2-4-16(17)20/h2-9,11-12H,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyQHQLBBYBWHZCGB-UHFFFAOYSA-N
XLogP4.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257733
2-(2-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256148
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257535
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
2-[(4-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109256323
N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258736
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256299
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
2-[(4-chlorophenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109257723

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 109256282) is N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is Cc1ccc(CNc2ncc(C(=O)Nc3ccccc3Cl)cn2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is QHQLBBYBWHZCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-6-8-14(9-7-13)10-21-19-22-11-15(12-23-19)18(25)24-17-5-3-2-4-16(17)20/h2-9,11-12H,10H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).