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2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C13H17F3N4 — CID 44821627

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cc(C(F)(F)F)nc(N2CCN3CCCC3C2)n1
InChIInChI=1S/C13H17F3N4/c1-9-7-11(13(14,15)16)18-12(17-9)20-6-5-19-4-2-3-10(19)8-20/h7,10H,2-6,8H2,1H3
InChIKeySOMZAYNBWPKVSX-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.09
Rot. Bonds1

About 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 44821627) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID44821627
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1cc(C(F)(F)F)nc(N2CCN3CCCC3C2)n1
InChIInChI=1S/C13H17F3N4/c1-9-7-11(13(14,15)16)18-12(17-9)20-6-5-19-4-2-3-10(19)8-20/h7,10H,2-6,8H2,1H3
InChIKeySOMZAYNBWPKVSX-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 44821627) is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is Cc1cc(C(F)(F)F)nc(N2CCN3CCCC3C2)n1.
What is the InChIKey of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is SOMZAYNBWPKVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-9-7-11(13(14,15)16)18-12(17-9)20-6-5-19-4-2-3-10(19)8-20/h7,10H,2-6,8H2,1H3.
What are the key properties of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 286.30 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 44821627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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