N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide

C19H17ClN4O — CID 109357083

IUPACN-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1Nc1cc(C(=O)Nc2ccccc2Cl)ncn1
InChIInChI=1S/C19H17ClN4O/c1-12-6-5-7-13(2)18(12)24-17-10-16(21-11-22-17)19(25)23-15-9-4-3-8-14(15)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVJNULLWSXMMVCF-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.74
Rot. Bonds4

About N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide

N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109357083) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109357083
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1Nc1cc(C(=O)Nc2ccccc2Cl)ncn1
InChIInChI=1S/C19H17ClN4O/c1-12-6-5-7-13(2)18(12)24-17-10-16(21-11-22-17)19(25)23-15-9-4-3-8-14(15)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVJNULLWSXMMVCF-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

N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357114
6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356960
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341303
N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355812
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109355962
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338941
6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358063
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358777
N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109348624

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide (CID 109357083) is N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide is Cc1cccc(C)c1Nc1cc(C(=O)Nc2ccccc2Cl)ncn1.
What is the InChIKey of N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is VJNULLWSXMMVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-6-5-7-13(2)18(12)24-17-10-16(21-11-22-17)19(25)23-15-9-4-3-8-14(15)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-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-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).