4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine

C10H13F3N4 — CID 114563772

IUPAC4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(N2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-6-8(16-9(14)15-7)17-4-2-1-3-5-17/h6H,1-5H2,(H2,14,15,16)
InChIKeyOHEAAOLBULCXGI-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.07
Rot. Bonds1

About 4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine

4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563772) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563772
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(N2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-6-8(16-9(14)15-7)17-4-2-1-3-5-17/h6H,1-5H2,(H2,14,15,16)
InChIKeyOHEAAOLBULCXGI-UHFFFAOYSA-N
XLogP2.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563797
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564180
2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine
CID 137449340
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564188
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565467
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102717213
[1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 114565679
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563976
4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566082
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
4-(3,3-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564346

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563772) is 4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(N2CCCCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is OHEAAOLBULCXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)7-6-8(16-9(14)15-7)17-4-2-1-3-5-17/h6H,1-5H2,(H2,14,15,16).
What are the key properties of 4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine?
4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).