N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide

C14H12F3N3O — CID 122263272

IUPACN-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(CNC(=O)c2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C14H12F3N3O/c1-9-6-10(20-8-19-9)7-18-13(21)11-4-2-3-5-12(11)14(15,16)17/h2-6,8H,7H2,1H3,(H,18,21)
InChIKeyZITNDTICPNSFEP-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.73
Rot. Bonds3

About N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 122263272) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID122263272
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(CNC(=O)c2ccccc2C(F)(F)F)ncn1
InChIInChI=1S/C14H12F3N3O/c1-9-6-10(20-8-19-9)7-18-13(21)11-4-2-3-5-12(11)14(15,16)17/h2-6,8H,7H2,1H3,(H,18,21)
InChIKeyZITNDTICPNSFEP-UHFFFAOYSA-N
XLogP2.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263270
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 108760187
N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122263448
2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263261
2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263474
2-(2-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263387
N-[(2,5-dimethylfuran-3-yl)methyl]-2-(trifluoromethyl)benzamide
CID 90536100
2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263254
6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 110860737
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide
CID 122263471

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide (CID 122263272) is N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide is Cc1cc(CNC(=O)c2ccccc2C(F)(F)F)ncn1.
What is the InChIKey of N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZITNDTICPNSFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-9-6-10(20-8-19-9)7-18-13(21)11-4-2-3-5-12(11)14(15,16)17/h2-6,8H,7H2,1H3,(H,18,21).
What are the key properties of N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 295.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 122263272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).