6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

C19H16F2N4O2 — CID 112850469

IUPAC6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Nc2ccc(F)cc2F)nc(C)n1
InChIInChI=1S/C19H16F2N4O2/c1-11-22-16(19(26)25-15-5-3-4-6-17(15)27-2)10-18(23-11)24-14-8-7-12(20)9-13(14)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyJKCAYEAADRDRMV-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.07
Rot. Bonds5

About 6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850469) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112850469
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Nc2ccc(F)cc2F)nc(C)n1
InChIInChI=1S/C19H16F2N4O2/c1-11-22-16(19(26)25-15-5-3-4-6-17(15)27-2)10-18(23-11)24-14-8-7-12(20)9-13(14)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyJKCAYEAADRDRMV-UHFFFAOYSA-N
XLogP4.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850264
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362
5-(2,4-difluoroanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109199705
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112849811
N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850388
N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373828
N-[(2-chlorophenyl)methyl]-6-(2,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370065
N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364780
6-(2,4-difluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372241
6-(2,4-dimethylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848847

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 112850469) is 6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(Nc2ccc(F)cc2F)nc(C)n1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is JKCAYEAADRDRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-11-22-16(19(26)25-15-5-3-4-6-17(15)27-2)10-18(23-11)24-14-8-7-12(20)9-13(14)21/h3-10H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).