6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

C21H21ClN4O2 — CID 112848881

IUPAC6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccc(C)cc2C)nc(C)n1
InChIInChI=1S/C21H21ClN4O2/c1-12-5-7-16(13(2)9-12)26-21(27)18-11-20(24-14(3)23-18)25-17-10-15(22)6-8-19(17)28-4/h5-11H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyQFGAICNFMSPWQL-UHFFFAOYSA-N
MW396.88 g/mol
LogP5.06
Rot. Bonds5

About 6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide

6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112848881) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112848881
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccc(C)cc2C)nc(C)n1
InChIInChI=1S/C21H21ClN4O2/c1-12-5-7-16(13(2)9-12)26-21(27)18-11-20(24-14(3)23-18)25-17-10-15(22)6-8-19(17)28-4/h5-11H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyQFGAICNFMSPWQL-UHFFFAOYSA-N
XLogP5.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848921
6-(2,4-dimethylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848847
N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848850
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850264
N-(5-chloro-2-methoxyphenyl)-6-(3,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849001
N-(2,6-dimethylphenyl)-6-(2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849207
N-(4-chlorophenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848839
6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850402
N-butan-2-yl-6-(5-chloro-2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362620
6-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850197
6-(2-methoxy-5-methylanilino)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 112850686
6-(2-methoxy-5-methylanilino)-2-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849615

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide (CID 112848881) is 6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is COc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccc(C)cc2C)nc(C)n1.
What is the InChIKey of 6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is QFGAICNFMSPWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-12-5-7-16(13(2)9-12)26-21(27)18-11-20(24-14(3)23-18)25-17-10-15(22)6-8-19(17)28-4/h5-11H,1-4H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide?
6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112848881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).