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

C8H9F3N4 — CID 140811183

IUPAC6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C8H9F3N4/c9-8(10,11)3-15-1-5-6(2-15)13-4-14-7(5)12/h4H,1-3H2,(H2,12,13,14)
InChIKeyTVODXEFLKYGKKF-UHFFFAOYSA-N
MW218.18 g/mol
LogP0.94
Rot. Bonds1

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

6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 140811183) 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-4-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID140811183
Molecular FormulaC8H9F3N4
Molecular Weight218.18 g/mol
Exact Mass218.08
IUPAC Name6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C8H9F3N4/c9-8(10,11)3-15-1-5-6(2-15)13-4-14-7(5)12/h4H,1-3H2,(H2,12,13,14)
InChIKeyTVODXEFLKYGKKF-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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Related Compounds

6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-diamine
CID 267678
2-(trifluoromethyl)-5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride
CID 84819314
N,N-dimethyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 67543338
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 10910771
2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 34175941
(3R)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 56965616
2-amino-N-(2,2-difluoropropyl)-4-iodo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 59191963
6-Propan-2-yl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 59487098
6-Methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 68213379
2-(fluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 68397720
6-Tert-butyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 70937969
6-Ethyl-2-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 70938174

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine (CID 140811183) is 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1CN(CC(F)(F)F)C2.
What is the InChIKey of 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is TVODXEFLKYGKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4/c9-8(10,11)3-15-1-5-6(2-15)13-4-14-7(5)12/h4H,1-3H2,(H2,12,13,14).
What are the key properties of 6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
6-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-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-4-amine is sourced from PubChem (CID 140811183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).