2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide

C19H16Cl2N4O — CID 109305094

IUPAC2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C19H16Cl2N4O/c1-25(12-13-5-3-2-4-6-13)19-22-10-9-17(24-19)18(26)23-16-8-7-14(20)11-15(16)21/h2-11H,12H2,1H3,(H,23,26)
InChIKeySICUBJZCIKQFKH-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.67
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide

2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide (PubChem CID 109305094) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide
PubChem CID109305094
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide
SMILESCN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C19H16Cl2N4O/c1-25(12-13-5-3-2-4-6-13)19-22-10-9-17(24-19)18(26)23-16-8-7-14(20)11-15(16)21/h2-11H,12H2,1H3,(H,23,26)
InChIKeySICUBJZCIKQFKH-UHFFFAOYSA-N
XLogP4.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide
CID 109211114
2-[benzyl(methyl)amino]-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305096
2-[benzyl(methyl)amino]-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109305098
2-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305030
2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109305045
4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109211074
5-[benzyl(methyl)amino]-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109189327
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314210
N-benzyl-4-(2,4-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109210988
2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
CID 109305008

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide (CID 109305094) is 2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide is CN(Cc1ccccc1)c1nccc(C(=O)Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is SICUBJZCIKQFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-25(12-13-5-3-2-4-6-13)19-22-10-9-17(24-19)18(26)23-16-8-7-14(20)11-15(16)21/h2-11H,12H2,1H3,(H,23,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide?
2-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.67, 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-(2,4-dichlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).