N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide

C15H11F6N3O — CID 122263448

IUPACN-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1cc(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C15H11F6N3O/c1-8-2-12(24-7-23-8)6-22-13(25)9-3-10(14(16,17)18)5-11(4-9)15(19,20)21/h2-5,7H,6H2,1H3,(H,22,25)
InChIKeyMCIAIJXKBKGRCE-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.75
Rot. Bonds3

About N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide

N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 122263448) has the molecular formula C15H11F6N3O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID122263448
Molecular FormulaC15H11F6N3O
Molecular Weight363.26 g/mol
Exact Mass363.08
IUPAC NameN-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1cc(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ncn1
InChIInChI=1S/C15H11F6N3O/c1-8-2-12(24-7-23-8)6-22-13(25)9-3-10(14(16,17)18)5-11(4-9)15(19,20)21/h2-5,7H,6H2,1H3,(H,22,25)
InChIKeyMCIAIJXKBKGRCE-UHFFFAOYSA-N
XLogP3.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263474
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122262463
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122263272
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
(E)-4,4,4-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]but-2-enamide
CID 167765691
N-[(6-methylpyrimidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122263384
N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide
CID 122263471
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122263537
2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263261
N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 90536144
2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide
CID 118378317

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide (CID 122263448) is N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide is Cc1cc(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ncn1.
What is the InChIKey of N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is MCIAIJXKBKGRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N3O/c1-8-2-12(24-7-23-8)6-22-13(25)9-3-10(14(16,17)18)5-11(4-9)15(19,20)21/h2-5,7H,6H2,1H3,(H,22,25).
What are the key properties of N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 363.26 g/mol, XLogP of 3.75, 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]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 122263448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).