6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide

C16H14F3N3O — CID 136586349

IUPAC6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide
SMILESO=C(NC1CC(c2ccccc2F)C1)c1cc(C(F)F)ncn1
InChIInChI=1S/C16H14F3N3O/c17-12-4-2-1-3-11(12)9-5-10(6-9)22-16(23)14-7-13(15(18)19)20-8-21-14/h1-4,7-10,15H,5-6H2,(H,22,23)
InChIKeySWAKSEOPEYXTFX-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.23
Rot. Bonds4

About 6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide

6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide (PubChem CID 136586349) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide
PubChem CID136586349
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide
SMILESO=C(NC1CC(c2ccccc2F)C1)c1cc(C(F)F)ncn1
InChIInChI=1S/C16H14F3N3O/c17-12-4-2-1-3-11(12)9-5-10(6-9)22-16(23)14-7-13(15(18)19)20-8-21-14/h1-4,7-10,15H,5-6H2,(H,22,23)
InChIKeySWAKSEOPEYXTFX-UHFFFAOYSA-N
XLogP3.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide
CID 146139892
N-cyclopropyl-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109339410
6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide
CID 136564670
6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide
CID 138054249
3-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]propanoic acid
CID 122012971
5-[[3-(2-fluorophenyl)cyclobutyl]amino]pentanamide
CID 106233343
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-[3-(2-fluorophenyl)cyclobutyl]benzamide
CID 139011595
4-[[3-(2-fluorophenyl)cyclobutyl]carbamoylamino]butanoic acid
CID 122012972
N-cyclohexyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109342025
3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide
CID 115676927
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-[3-(2-fluorophenyl)cyclobutyl]cyclooctanamine
CID 43633190

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide (CID 136586349) is 6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide is O=C(NC1CC(c2ccccc2F)C1)c1cc(C(F)F)ncn1.
What is the InChIKey of 6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide?
The InChIKey is SWAKSEOPEYXTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c17-12-4-2-1-3-11(12)9-5-10(6-9)22-16(23)14-7-13(15(18)19)20-8-21-14/h1-4,7-10,15H,5-6H2,(H,22,23).
What are the key properties of 6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide?
6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 136586349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).