6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide

C18H14F2N4O — CID 109356328

IUPAC6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)cc1
InChIInChI=1S/C18H14F2N4O/c1-11-2-5-13(6-3-11)23-18(25)16-9-17(22-10-21-16)24-15-7-4-12(19)8-14(15)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeySJBNHCWJSAWOJE-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.06
Rot. Bonds4

About 6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide

6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356328) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109356328
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)cc1
InChIInChI=1S/C18H14F2N4O/c1-11-2-5-13(6-3-11)23-18(25)16-9-17(22-10-21-16)24-15-7-4-12(19)8-14(15)20/h2-10H,1H3,(H,23,25)(H,21,22,24)
InChIKeySJBNHCWJSAWOJE-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958
6-(2,4-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356906
N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109358468
N-(2,4-difluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109359110
N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109358003
N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356791
6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355773
6-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359589
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109356328) is 6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(Nc3ccc(F)cc3F)ncn2)cc1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is SJBNHCWJSAWOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-11-2-5-13(6-3-11)23-18(25)16-9-17(22-10-21-16)24-15-7-4-12(19)8-14(15)20/h2-10H,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).