N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide

C19H16Cl2N4O — CID 109257733

IUPACN-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cnc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H16Cl2N4O/c1-12-16(21)3-2-4-17(12)25-18(26)14-10-23-19(24-11-14)22-9-13-5-7-15(20)8-6-13/h2-8,10-11H,9H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyLKDLAZZNCMLSHS-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.96
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide

N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109257733) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109257733
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cnc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H16Cl2N4O/c1-12-16(21)3-2-4-17(12)25-18(26)14-10-23-19(24-11-14)22-9-13-5-7-15(20)8-6-13/h2-8,10-11H,9H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyLKDLAZZNCMLSHS-UHFFFAOYSA-N
XLogP4.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256282
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
N-(3-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267368
2-[(4-chlorophenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109257723
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109257713
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249823
2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267440
N-(3-chloro-2-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265600

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide (CID 109257733) is N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cnc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is LKDLAZZNCMLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-12-16(21)3-2-4-17(12)25-18(26)14-10-23-19(24-11-14)22-9-13-5-7-15(20)8-6-13/h2-8,10-11H,9H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).