6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide

C17H15F2N5O — CID 166327030

IUPAC6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3cc(C(F)F)ncn3)cc2)c1C
InChIInChI=1S/C17H15F2N5O/c1-10-11(2)24(9-22-10)13-5-3-12(4-6-13)23-17(25)15-7-14(16(18)19)20-8-21-15/h3-9,16H,1-2H3,(H,23,25)
InChIKeyKVSGLBVTCKQECK-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.47
Rot. Bonds4

About 6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide

6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 166327030) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide
PubChem CID166327030
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3cc(C(F)F)ncn3)cc2)c1C
InChIInChI=1S/C17H15F2N5O/c1-10-11(2)24(9-22-10)13-5-3-12(4-6-13)23-17(25)15-7-14(16(18)19)20-8-21-15/h3-9,16H,1-2H3,(H,23,25)
InChIKeyKVSGLBVTCKQECK-UHFFFAOYSA-N
XLogP3.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclobutane-1-carboxamide
CID 166299186
5-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 166215609
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,5-dimethylpyrrole-3-carboxamide
CID 166327019
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide
CID 166327066
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3,5-difluoro-4-(hydroxymethyl)benzamide
CID 166327111
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,2-thiazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166326962
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 166327061
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methoxy-3-methylbutanamide
CID 166215873
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide (CID 166327030) is 6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide is Cc1ncn(-c2ccc(NC(=O)c3cc(C(F)F)ncn3)cc2)c1C.
What is the InChIKey of 6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is KVSGLBVTCKQECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-10-11(2)24(9-22-10)13-5-3-12(4-6-13)23-17(25)15-7-14(16(18)19)20-8-21-15/h3-9,16H,1-2H3,(H,23,25).
What are the key properties of 6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide?
6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 166327030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).