2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide

C20H19ClN4O — CID 109256820

IUPAC2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c1-14-8-9-17(10-18(14)21)24-19(26)16-11-22-20(23-12-16)25(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyDIYYHZPDHXDULE-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.33
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide

2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109256820) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109256820
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c1-14-8-9-17(10-18(14)21)24-19(26)16-11-22-20(23-12-16)25(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyDIYYHZPDHXDULE-UHFFFAOYSA-N
XLogP4.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109256823
2-[benzyl(propan-2-yl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109263371
N-(1,3-benzodioxol-5-yl)-2-[benzyl(methyl)amino]pyrimidine-5-carboxamide
CID 109256853
2-[benzyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carboxamide
CID 109256854
2-[benzyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109256817
2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109256795
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109234873
6-[benzyl(methyl)amino]-N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 109156302
2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109256874
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
5-[benzyl(methyl)amino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109233202

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide (CID 109256820) is 2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)cc1Cl.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is DIYYHZPDHXDULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-14-8-9-17(10-18(14)21)24-19(26)16-11-22-20(23-12-16)25(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide?
2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).