2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide

C20H19ClN4O — CID 109257713

IUPAC2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NCc3ccc(Cl)cc3)nc2)cc1C
InChIInChI=1S/C20H19ClN4O/c1-13-3-8-18(9-14(13)2)25-19(26)16-11-23-20(24-12-16)22-10-15-4-6-17(21)7-5-15/h3-9,11-12H,10H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyYSPPLWRQHSMCSS-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.61
Rot. Bonds5

About 2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide

2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109257713) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109257713
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NCc3ccc(Cl)cc3)nc2)cc1C
InChIInChI=1S/C20H19ClN4O/c1-13-3-8-18(9-14(13)2)25-19(26)16-11-23-20(24-12-16)22-10-15-4-6-17(21)7-5-15/h3-9,11-12H,10H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyYSPPLWRQHSMCSS-UHFFFAOYSA-N
XLogP4.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109257723
2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109255502
2-(benzylamino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109255462
N-(4-bromo-3-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259353
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257733
N-(3-chloro-4-methylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109234126
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256322
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109261471
N-(1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109261477
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide (CID 109257713) is 2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(NCc3ccc(Cl)cc3)nc2)cc1C.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is YSPPLWRQHSMCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-3-8-18(9-14(13)2)25-19(26)16-11-23-20(24-12-16)22-10-15-4-6-17(21)7-5-15/h3-9,11-12H,10H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide?
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109257713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).