2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine

C11H11F3N2 — CID 147860136

IUPAC2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine
SMILESCC12CC(c3nccc(C(F)(F)F)n3)(C1)C2
InChIInChI=1S/C11H11F3N2/c1-9-4-10(5-9,6-9)8-15-3-2-7(16-8)11(12,13)14/h2-3H,4-6H2,1H3
InChIKeyHWNIDLCXOWXGJP-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.94
Rot. Bonds1

About 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine

2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine (PubChem CID 147860136) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine
PubChem CID147860136
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine
SMILESCC12CC(c3nccc(C(F)(F)F)n3)(C1)C2
InChIInChI=1S/C11H11F3N2/c1-9-4-10(5-9,6-9)8-15-3-2-7(16-8)11(12,13)14/h2-3H,4-6H2,1H3
InChIKeyHWNIDLCXOWXGJP-UHFFFAOYSA-N
XLogP2.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine
CID 157459706
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
4-(trifluoromethyl)pyrimidin-2-olate
CID 42553718
acetylene;4-(trifluoromethyl)pyrimidin-2-amine
CID 142135177
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 79363335
2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine
CID 114632622
4-[4-(trifluoromethyl)pyrimidin-2-yl]aniline
CID 63319084
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
4,4-dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 65118275
N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutyl]prop-2-enamide
CID 139015518
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103989959
trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane
CID 171323949

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine (CID 147860136) is 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine is CC12CC(c3nccc(C(F)(F)F)n3)(C1)C2.
What is the InChIKey of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is HWNIDLCXOWXGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-9-4-10(5-9,6-9)8-15-3-2-7(16-8)11(12,13)14/h2-3H,4-6H2,1H3.
What are the key properties of 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine?
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 228.22 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 147860136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).