N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C13H18F3N3 — CID 62748227

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nccc(CNC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3/c1-9-17-7-6-12(19-9)8-18-11-4-2-10(3-5-11)13(14,15)16/h6-7,10-11,18H,2-5,8H2,1H3
InChIKeyRGHVTGUQVSOSEJ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.00
Rot. Bonds3

About N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 62748227) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID62748227
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1nccc(CNC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H18F3N3/c1-9-17-7-6-12(19-9)8-18-11-4-2-10(3-5-11)13(14,15)16/h6-7,10-11,18H,2-5,8H2,1H3
InChIKeyRGHVTGUQVSOSEJ-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60961900
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62747106
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 81171188
trans-(1R,2R)-2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentan-1-ol
CID 93444311
N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine
CID 141342009
3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
CID 61016617
9-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471994
1-cyclopropyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 62747897
1-(3-methylbut-2-enyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-amine
CID 61015864

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 62748227) is N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cc1nccc(CNC2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is RGHVTGUQVSOSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9-17-7-6-12(19-9)8-18-11-4-2-10(3-5-11)13(14,15)16/h6-7,10-11,18H,2-5,8H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 62748227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).