N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide

C12H14F3N3O — CID 71796936

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2CC2)n1
InChIInChI=1S/C12H14F3N3O/c1-7-6-9(12(13,14)15)18-10(17-7)4-5-16-11(19)8-2-3-8/h6,8H,2-5H2,1H3,(H,16,19)
InChIKeyMDXAJYMDAZJSGX-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.87
Rot. Bonds4

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 71796936) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID71796936
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2CC2)n1
InChIInChI=1S/C12H14F3N3O/c1-7-6-9(12(13,14)15)18-10(17-7)4-5-16-11(19)8-2-3-8/h6,8H,2-5H2,1H3,(H,16,19)
InChIKeyMDXAJYMDAZJSGX-UHFFFAOYSA-N
XLogP1.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
2-(4,6-Dimethylpyrimidin-2-yl)acetamide
CID 659932
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
2-(Ethylamino)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 3704748
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
N-(4,6-dimethyl-2-pyrimidinyl)-2-methylpropanamide
CID 1234520
2,2-dimethyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propanamide
CID 71796939
2-ethoxy-N-(2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)acetamide
CID 71796940
1-methyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71796956
2-(2,5-dioxopyrrolidin-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}acetamide
CID 71796961
N-(2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 71796994

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide (CID 71796936) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)C2CC2)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is MDXAJYMDAZJSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-7-6-9(12(13,14)15)18-10(17-7)4-5-16-11(19)8-2-3-8/h6,8H,2-5H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 273.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71796936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).