2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide

C18H15ClN4O — CID 109255455

IUPAC2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C18H15ClN4O/c19-15-8-4-5-9-16(15)23-17(24)14-11-21-18(22-12-14)20-10-13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,23,24)(H,20,21,22)
InChIKeyZJKXVEAFEBRIPM-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.99
Rot. Bonds5

About 2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide

2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide (PubChem CID 109255455) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
PubChem CID109255455
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NCc2ccccc2)nc1
InChIInChI=1S/C18H15ClN4O/c19-15-8-4-5-9-16(15)23-17(24)14-11-21-18(22-12-14)20-10-13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,23,24)(H,20,21,22)
InChIKeyZJKXVEAFEBRIPM-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256282
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257535
N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258736
5-(benzylamino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 109231871
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257733
2-(benzylamino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109255462
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide (CID 109255455) is 2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide is O=C(Nc1ccccc1Cl)c1cnc(NCc2ccccc2)nc1.
What is the InChIKey of 2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide?
The InChIKey is ZJKXVEAFEBRIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-15-8-4-5-9-16(15)23-17(24)14-11-21-18(22-12-14)20-10-13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,23,24)(H,20,21,22).
What are the key properties of 2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide?
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).