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

C17H17F2N3O — CID 146139892

IUPAC6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide
SMILESCc1ccccc1C1CC(NC(=O)c2cc(C(F)F)ncn2)C1
InChIInChI=1S/C17H17F2N3O/c1-10-4-2-3-5-13(10)11-6-12(7-11)22-17(23)15-8-14(16(18)19)20-9-21-15/h2-5,8-9,11-12,16H,6-7H2,1H3,(H,22,23)
InChIKeyQWJXZNHLAKABMY-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.40
Rot. Bonds4

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

6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide (PubChem CID 146139892) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide
PubChem CID146139892
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide
SMILESCc1ccccc1C1CC(NC(=O)c2cc(C(F)F)ncn2)C1
InChIInChI=1S/C17H17F2N3O/c1-10-4-2-3-5-13(10)11-6-12(7-11)22-17(23)15-8-14(16(18)19)20-9-21-15/h2-5,8-9,11-12,16H,6-7H2,1H3,(H,22,23)
InChIKeyQWJXZNHLAKABMY-UHFFFAOYSA-N
XLogP3.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide
CID 136586349
N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide
CID 136564670
N-[3-(2-methylphenyl)cyclobutyl]furo[3,2-c]pyridine-4-carboxamide
CID 136583969
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid
CID 175794662
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide
CID 138054249
N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 110848002
N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109339321
4-bromo-2,6-difluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 65469468
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide (CID 146139892) is 6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide is Cc1ccccc1C1CC(NC(=O)c2cc(C(F)F)ncn2)C1.
What is the InChIKey of 6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide?
The InChIKey is QWJXZNHLAKABMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c1-10-4-2-3-5-13(10)11-6-12(7-11)22-17(23)15-8-14(16(18)19)20-9-21-15/h2-5,8-9,11-12,16H,6-7H2,1H3,(H,22,23).
What are the key properties of 6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide?
6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 3.40, 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-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 146139892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).