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

C15H13F3N4O3 — CID 1272740

IUPACN-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C)nc(NC(=O)NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H13F3N4O3/c1-8-7-11(25-2)20-13(19-8)22-14(24)21-12(23)9-3-5-10(6-4-9)15(16,17)18/h3-7H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyJGOXLUAYVXRESI-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.77
Rot. Bonds3

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

N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide (PubChem CID 1272740) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide
PubChem CID1272740
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC NameN-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C)nc(NC(=O)NC(=O)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H13F3N4O3/c1-8-7-11(25-2)20-13(19-8)22-14(24)21-12(23)9-3-5-10(6-4-9)15(16,17)18/h3-7H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyJGOXLUAYVXRESI-UHFFFAOYSA-N
XLogP2.77
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino](phenylamino)methylidene]-2-methoxybenzamide
CID 135547802
2-methoxy-N-({[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino}carbonyl)benzamide
CID 1506080
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 717499
N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamothioyl]-N-methylbenzamide
CID 929504
N-(4,6-dimethyl-2-pyrimidinyl)-2-methoxybenzamide
CID 966568
N-(2,6-dimethoxypyrimidin-4-yl)-2,6-difluorobenzamide
CID 685677
Urea, 1-(3-methoxybenzoyl)-3-(4-methyl-6-trifluoromethylpyrimidin-2-yl)-
CID 1503625
2-(4-methoxy-6-methylpyrimidin-2-yl)-4H-isoquinoline-1,3-dione
CID 44265717
N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-phenylcarbamimidoyl]-2-methoxybenzamide
CID 135452177
N-Benzoyl-N'-(4,6-dimethyl-pyrimidin-2-yl)-N''-(4-methoxy-phenyl)-guanidine
CID 135437295
N-(2,6-Dimethoxy-4-pyrimidinyl)benzamide
CID 3867896
N-(2,6-dimethoxypyrimidin-4-yl)-2-fluorobenzamide
CID 702300

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide (CID 1272740) is N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide is COc1cc(C)nc(NC(=O)NC(=O)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide?
The InChIKey is JGOXLUAYVXRESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c1-8-7-11(25-2)20-13(19-8)22-14(24)21-12(23)9-3-5-10(6-4-9)15(16,17)18/h3-7H,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide?
N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide has a molecular weight of 354.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 1272740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).