N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine

C10H12F3N3 — CID 141342009

IUPACN-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine
SMILESFC(F)(F)c1nccc(CNC2CCC2)n1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-14-5-4-8(16-9)6-15-7-2-1-3-7/h4-5,7,15H,1-3,6H2
InChIKeyWNUKLMAACKOACY-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.14
Rot. Bonds3

About N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine

N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine (PubChem CID 141342009) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine
PubChem CID141342009
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC NameN-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine
SMILESFC(F)(F)c1nccc(CNC2CCC2)n1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-14-5-4-8(16-9)6-15-7-2-1-3-7/h4-5,7,15H,1-3,6H2
InChIKeyWNUKLMAACKOACY-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 62748227
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
CID 55114202
4-chloro-N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]aniline
CID 171059565
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65328671
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62747106
N-[[2-(4-bromophenyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 62749008
4-[4-[(cyclopropylamino)methyl]pyrimidin-2-yl]phenol
CID 136938634
3-phenoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 141060072
9-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471994
4-(2-methylbutan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60961900

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine?
The IUPAC name of N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine (CID 141342009) is N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine?
The canonical SMILES for N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine is FC(F)(F)c1nccc(CNC2CCC2)n1.
What is the InChIKey of N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine?
The InChIKey is WNUKLMAACKOACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)9-14-5-4-8(16-9)6-15-7-2-1-3-7/h4-5,7,15H,1-3,6H2.
What are the key properties of N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine?
N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine has a molecular weight of 231.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclobutanamine is sourced from PubChem (CID 141342009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).