N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide

C19H17ClN4O — CID 109266466

IUPACN-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3)cn2)c(C)c1
InChIInChI=1S/C19H17ClN4O/c1-12-6-7-17(13(2)8-12)24-19-21-10-14(11-22-19)18(25)23-16-5-3-4-15(20)9-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyTWKZUGMJQUNDDP-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.74
Rot. Bonds4

About N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide

N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide (PubChem CID 109266466) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
PubChem CID109266466
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3)cn2)c(C)c1
InChIInChI=1S/C19H17ClN4O/c1-12-6-7-17(13(2)8-12)24-19-21-10-14(11-22-19)18(25)23-16-5-3-4-15(20)9-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyTWKZUGMJQUNDDP-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266524
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266523
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267000
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide (CID 109266466) is N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)Nc3cccc(Cl)c3)cn2)c(C)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide?
The InChIKey is TWKZUGMJQUNDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-6-7-17(13(2)8-12)24-19-21-10-14(11-22-19)18(25)23-16-5-3-4-15(20)9-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide?
N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).