2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine

C10H13F3N4 — CID 83919618

IUPAC2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine
SMILESNCCc1ncc2c(n1)CN(CC(F)(F)F)C2
InChIInChI=1S/C10H13F3N4/c11-10(12,13)6-17-4-7-3-15-9(1-2-14)16-8(7)5-17/h3H,1-2,4-6,14H2
InChIKeyRBQWLKUOQZCAEE-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.86
Rot. Bonds3

About 2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine

2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine (PubChem CID 83919618) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine
PubChem CID83919618
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine
SMILESNCCc1ncc2c(n1)CN(CC(F)(F)F)C2
InChIInChI=1S/C10H13F3N4/c11-10(12,13)6-17-4-7-3-15-9(1-2-14)16-8(7)5-17/h3H,1-2,4-6,14H2
InChIKeyRBQWLKUOQZCAEE-UHFFFAOYSA-N
XLogP0.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine (CID 83919618) is 2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine is NCCc1ncc2c(n1)CN(CC(F)(F)F)C2.
What is the InChIKey of 2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine?
The InChIKey is RBQWLKUOQZCAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)6-17-4-7-3-15-9(1-2-14)16-8(7)5-17/h3H,1-2,4-6,14H2.
What are the key properties of 2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine?
2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine has a molecular weight of 246.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 83919618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).