6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C13H17F3N4 — CID 106772695

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(N2CCC3CCCCC32)nc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)12-18-10(17)7-11(19-12)20-6-5-8-3-1-2-4-9(8)20/h7-9H,1-6H2,(H2,17,18,19)
InChIKeyUWOIJJYPQDYRMM-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.85
Rot. Bonds1

About 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106772695) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106772695
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(N2CCC3CCCCC32)nc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)12-18-10(17)7-11(19-12)20-6-5-8-3-1-2-4-9(8)20/h7-9H,1-6H2,(H2,17,18,19)
InChIKeyUWOIJJYPQDYRMM-UHFFFAOYSA-N
XLogP2.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-cyclopropylpyrimidin-4-amine
CID 102729187
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 78989317
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 106771825
6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773226
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114562285
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773359
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839876
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718121
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771344
(4aR,8aR)-1-(2-tert-butyl-6-chloropyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727530

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106772695) is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(N2CCC3CCCCC32)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UWOIJJYPQDYRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c14-13(15,16)12-18-10(17)7-11(19-12)20-6-5-8-3-1-2-4-9(8)20/h7-9H,1-6H2,(H2,17,18,19).
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 286.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106772695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).