4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C7H6F3N3 — CID 83847104

IUPAC4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncnc2c1CNC2
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-4-1-11-2-5(4)12-3-13-6/h3,11H,1-2H2
InChIKeySUTBZOYQJCYBDW-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.10
Rot. Bonds

About 4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 83847104) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID83847104
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncnc2c1CNC2
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-4-1-11-2-5(4)12-3-13-6/h3,11H,1-2H2
InChIKeySUTBZOYQJCYBDW-UHFFFAOYSA-N
XLogP1.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trifluoromethyl)-5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride
CID 84819314
2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 34175941
4-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 58333901
4-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 66969187
2-amino-N-(2,2-difluoropropyl)-4-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 91205316
4-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile
CID 123916444
4-Fluoro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 138635950
6-(2,2,2-Trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
CID 140811183
4-(Trifluoromethyl)-5,8-dihydropyrido[3,4-d]pyrimidine
CID 141152494
7-Fluoro-4,7-dimethyl-5,6-dihydropyrrolo[3,2-d]pyrimidine
CID 143833654
N-methyl-N'-[[4-methyl-6-(trifluoromethyl)pyrimidin-5-yl]methyl]methanediamine
CID 163935804
7-Methyl-4-(trifluoromethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 14929636

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 83847104) is 4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is FC(F)(F)c1ncnc2c1CNC2.
What is the InChIKey of 4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is SUTBZOYQJCYBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-7(9,10)6-4-1-11-2-5(4)12-3-13-6/h3,11H,1-2H2.
What are the key properties of 4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 189.14 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 83847104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).