6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide

C19H16ClFN4O — CID 112850309

IUPAC6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C19H16ClFN4O/c1-11-6-7-15(9-16(11)20)24-18-10-17(22-12(2)23-18)19(26)25-14-5-3-4-13(21)8-14/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyVGQGEXJXAVXPPB-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.88
Rot. Bonds4

About 6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide

6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850309) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112850309
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)Nc2cccc(F)c2)n1
InChIInChI=1S/C19H16ClFN4O/c1-11-6-7-15(9-16(11)20)24-18-10-17(22-12(2)23-18)19(26)25-14-5-3-4-13(21)8-14/h3-10H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyVGQGEXJXAVXPPB-UHFFFAOYSA-N
XLogP4.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850112
N-(3-chloro-4-methoxyphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850391
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
N-(3-chloro-2-methylphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850219
N-(3-fluorophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849679
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
6-(3-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849930
6-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849936
N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109177698
6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849053
6-(2,6-difluoroanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849071
6-(3,4-difluoroanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849232

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide (CID 112850309) is 6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(C)c(Cl)c2)cc(C(=O)Nc2cccc(F)c2)n1.
What is the InChIKey of 6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is VGQGEXJXAVXPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-11-6-7-15(9-16(11)20)24-18-10-17(22-12(2)23-18)19(26)25-14-5-3-4-13(21)8-14/h3-10H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide?
6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).