N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide

C19H18ClN5O — CID 109259314

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(NCc3ccncc3)nc2)c(Cl)c1
InChIInChI=1S/C19H18ClN5O/c1-12-7-13(2)17(16(20)8-12)25-18(26)15-10-23-19(24-11-15)22-9-14-3-5-21-6-4-14/h3-8,10-11H,9H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyOWPWPXLCFYDOQM-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.01
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109259314) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109259314
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(NCc3ccncc3)nc2)c(Cl)c1
InChIInChI=1S/C19H18ClN5O/c1-12-7-13(2)17(16(20)8-12)25-18(26)15-10-23-19(24-11-15)22-9-14-3-5-21-6-4-14/h3-8,10-11H,9H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyOWPWPXLCFYDOQM-UHFFFAOYSA-N
XLogP4.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158060
2-[(4-chlorophenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109257723
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055218
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109263556
N-(2-chloro-4,6-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232696
N-(4-bromo-3-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259353
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265605
N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283431
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109257713
1-N-(2-chloro-4,6-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137253
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283574
N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256282

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide (CID 109259314) is N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(NCc3ccncc3)nc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is OWPWPXLCFYDOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-12-7-13(2)17(16(20)8-12)25-18(26)15-10-23-19(24-11-15)22-9-14-3-5-21-6-4-14/h3-8,10-11H,9H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).