2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide

C19H17ClN4O — CID 109256149

IUPAC2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C19H17ClN4O/c1-13-5-7-14(8-6-13)10-21-18(25)15-11-22-19(23-12-15)24-17-4-2-3-16(20)9-17/h2-9,11-12H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyFKRTZFAHVASVLX-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.11
Rot. Bonds5

About 2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide

2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109256149) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109256149
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2)cc1
InChIInChI=1S/C19H17ClN4O/c1-13-5-7-14(8-6-13)10-21-18(25)15-11-22-19(23-12-15)24-17-4-2-3-16(20)9-17/h2-9,11-12H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyFKRTZFAHVASVLX-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256132
2-(2,5-dichloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256195
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259140
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
2-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256133
2-(2-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256148
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
2-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256158
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
2-N-(3-chlorophenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085894
2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256142

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109256149) is 2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2)cc1.
What is the InChIKey of 2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is FKRTZFAHVASVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-5-7-14(8-6-13)10-21-18(25)15-11-22-19(23-12-15)24-17-4-2-3-16(20)9-17/h2-9,11-12H,10H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).