6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide

C14H10F5N3O2 — CID 165432706

IUPAC6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2OC(F)(F)F)cc(C(F)F)n1
InChIInChI=1S/C14H10F5N3O2/c1-7-20-9(12(15)16)6-10(21-7)13(23)22-8-4-2-3-5-11(8)24-14(17,18)19/h2-6,12H,1H3,(H,22,23)
InChIKeyKHXOFBDJFHTFIL-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.87
Rot. Bonds4

About 6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide

6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide (PubChem CID 165432706) has the molecular formula C14H10F5N3O2 and a molecular weight of 347.24 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
PubChem CID165432706
Molecular FormulaC14H10F5N3O2
Molecular Weight347.24 g/mol
Exact Mass347.07
IUPAC Name6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2OC(F)(F)F)cc(C(F)F)n1
InChIInChI=1S/C14H10F5N3O2/c1-7-20-9(12(15)16)6-10(21-7)13(23)22-8-4-2-3-5-11(8)24-14(17,18)19/h2-6,12H,1H3,(H,22,23)
InChIKeyKHXOFBDJFHTFIL-UHFFFAOYSA-N
XLogP3.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 47355443
2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 43034383
6-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpyrimidine-4-carboxamide
CID 165431658
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034362
2,2,3,3-tetrafluoro-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 103732361
1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 121066991
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 110858050

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide (CID 165432706) is 6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccccc2OC(F)(F)F)cc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The InChIKey is KHXOFBDJFHTFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N3O2/c1-7-20-9(12(15)16)6-10(21-7)13(23)22-8-4-2-3-5-11(8)24-14(17,18)19/h2-6,12H,1H3,(H,22,23).
What are the key properties of 6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide has a molecular weight of 347.24 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-methyl-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 165432706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).