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

C8H9F3N4 — CID 83917336

IUPAC6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CN(CC(F)(F)F)C2
InChIInChI=1S/C8H9F3N4/c9-8(10,11)4-15-2-5-1-13-7(12)14-6(5)3-15/h1H,2-4H2,(H2,12,13,14)
InChIKeyJYDHICHWHMMQSH-UHFFFAOYSA-N
MW218.18 g/mol
LogP0.94
Rot. Bonds1

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

6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 83917336) has the molecular formula C8H9F3N4 and a molecular weight of 218.18 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
PubChem CID83917336
Molecular FormulaC8H9F3N4
Molecular Weight218.18 g/mol
Exact Mass218.08
IUPAC Name6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CN(CC(F)(F)F)C2
InChIInChI=1S/C8H9F3N4/c9-8(10,11)4-15-2-5-1-13-7(12)14-6(5)3-15/h1H,2-4H2,(H2,12,13,14)
InChIKeyJYDHICHWHMMQSH-UHFFFAOYSA-N
XLogP0.94
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The IUPAC name of 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine (CID 83917336) is 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine is Nc1ncc2c(n1)CN(CC(F)(F)F)C2.
What is the InChIKey of 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
The InChIKey is JYDHICHWHMMQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4/c9-8(10,11)4-15-2-5-1-13-7(12)14-6(5)3-15/h1H,2-4H2,(H2,12,13,14).
What are the key properties of 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine?
6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 218.18 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 83917336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).