4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine

C11H15F3N4 — CID 112751279

IUPAC4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESNc1nccc(CN2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-2-1-5-18(6-8)7-9-3-4-16-10(15)17-9/h3-4,8H,1-2,5-7H2,(H2,15,16,17)
InChIKeyMQOQSKHHTIBMPH-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.83
Rot. Bonds2

About 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine

4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 112751279) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID112751279
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESNc1nccc(CN2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-2-1-5-18(6-8)7-9-3-4-16-10(15)17-9/h3-4,8H,1-2,5-7H2,(H2,15,16,17)
InChIKeyMQOQSKHHTIBMPH-UHFFFAOYSA-N
XLogP1.83
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 79233400
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557056
(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 51970058
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
2-fluoro-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]aniline
CID 107347469
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine
CID 112751268
9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92861380
2-[(2-methylpyrimidin-4-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79940082
2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 110096341
1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 165413623
2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 51505424

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine (CID 112751279) is 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine is Nc1nccc(CN2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is MQOQSKHHTIBMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)8-2-1-5-18(6-8)7-9-3-4-16-10(15)17-9/h3-4,8H,1-2,5-7H2,(H2,15,16,17).
What are the key properties of 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 260.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 112751279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).