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

C19H17ClN4O — CID 109266926

IUPACN-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(Nc2ncc(C(=O)Nc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C19H17ClN4O/c1-12-7-13(2)9-17(8-12)24-19-21-10-14(11-22-19)18(25)23-16-5-3-15(20)4-6-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyIIBZFSRAGVPGHF-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.74
Rot. Bonds4

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

N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide (PubChem CID 109266926) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
PubChem CID109266926
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(Nc2ncc(C(=O)Nc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C19H17ClN4O/c1-12-7-13(2)9-17(8-12)24-19-21-10-14(11-22-19)18(25)23-16-5-3-15(20)4-6-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyIIBZFSRAGVPGHF-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-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266931
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266930
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
N-(4-tert-butylphenyl)-2-(4-chloroanilino)pyrimidine-5-carboxamide
CID 109268262
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide (CID 109266926) is N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide is Cc1cc(C)cc(Nc2ncc(C(=O)Nc3ccc(Cl)cc3)cn2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
The InChIKey is IIBZFSRAGVPGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-7-13(2)9-17(8-12)24-19-21-10-14(11-22-19)18(25)23-16-5-3-15(20)4-6-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
N-(4-chlorophenyl)-2-(3,5-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-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).