6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

C20H19ClN4O2 — CID 112850264

IUPAC6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Nc2ccc(Cl)cc2C)nc(C)n1
InChIInChI=1S/C20H19ClN4O2/c1-12-10-14(21)8-9-15(12)24-19-11-17(22-13(2)23-19)20(26)25-16-6-4-5-7-18(16)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyYKXDMKKSBHJJNR-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.75
Rot. Bonds5

About 6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850264) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112850264
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Nc2ccc(Cl)cc2C)nc(C)n1
InChIInChI=1S/C20H19ClN4O2/c1-12-10-14(21)8-9-15(12)24-19-11-17(22-13(2)23-19)20(26)25-16-6-4-5-7-18(16)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyYKXDMKKSBHJJNR-UHFFFAOYSA-N
XLogP4.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850469
6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848881
6-(2,4-dimethylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848847
N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850388
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848921
N-(5-chloro-2-methoxyphenyl)-6-(3,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849001
N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848850
N-(2-chlorophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848065
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373828
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850101

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 112850264) is 6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(Nc2ccc(Cl)cc2C)nc(C)n1.
What is the InChIKey of 6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is YKXDMKKSBHJJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-10-14(21)8-9-15(12)24-19-11-17(22-13(2)23-19)20(26)25-16-6-4-5-7-18(16)27-3/h4-11H,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).