6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide

C17H12F2N4O — CID 109355773

IUPAC6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C17H12F2N4O/c18-11-6-7-14(13(19)8-11)23-17(24)15-9-16(21-10-20-15)22-12-4-2-1-3-5-12/h1-10H,(H,23,24)(H,20,21,22)
InChIKeyIUERVVXAXQBLDR-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.75
Rot. Bonds4

About 6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide

6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109355773) has the molecular formula C17H12F2N4O and a molecular weight of 326.31 g/mol. Its IUPAC name is 6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109355773
Molecular FormulaC17H12F2N4O
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C17H12F2N4O/c18-11-6-7-14(13(19)8-11)23-17(24)15-9-16(21-10-20-15)22-12-4-2-1-3-5-12/h1-10H,(H,23,24)(H,20,21,22)
InChIKeyIUERVVXAXQBLDR-UHFFFAOYSA-N
XLogP3.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.75
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-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359589
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
ethyl 2-[[6-[(2,4-difluorophenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109359813
N-benzyl-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109346751
N-(4-chloro-2-methylphenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109358468
N-(2,5-dichlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357976
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide (CID 109355773) is 6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1cc(Nc2ccccc2)ncn1.
What is the InChIKey of 6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is IUERVVXAXQBLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O/c18-11-6-7-14(13(19)8-11)23-17(24)15-9-16(21-10-20-15)22-12-4-2-1-3-5-12/h1-10H,(H,23,24)(H,20,21,22).
What are the key properties of 6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide?
6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).