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

C7H6F3N3 — CID 34175941

IUPAC2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CNC2
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6/h2,11H,1,3H2
InChIKeyWAXINHRGKZWFCJ-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.10
Rot. Bonds

About 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 34175941) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID34175941
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESFC(F)(F)c1ncc2c(n1)CNC2
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6/h2,11H,1,3H2
InChIKeyWAXINHRGKZWFCJ-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

6,7-Dihydro-5H-pyrrolo(2,3-d)pyrimidine
CID 23294017
5H,6H,7H-pyrrolo[3,4-d]pyrimidine dihydrochloride
CID 44182365
2-chloro-5H,6H,7H-pyrrolo(3,4-d)pyrimidine hydrochloride
CID 71302509
4-(Trifluoromethyl)-5-methylpyrimidin-2-amine
CID 10773633
5H,6H,7H-pyrrolo[3,4-d]pyrimidin-2-amine dihydrochloride
CID 53438321
2-(trifluoromethyl)-5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride
CID 84819314
2-methyl-5H,6H,7H-pyrrolo(3,4-d)pyrimidine dihydrobromide
CID 154853248
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride
CID 54758847
N,N-dimethyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 67543338
2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 10889102
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 10910771
6,7-dihydro-5H-pyrrolo(3,4-d)pyrimidine
CID 10954423

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 34175941) is 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is FC(F)(F)c1ncc2c(n1)CNC2.
What is the InChIKey of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is WAXINHRGKZWFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6/h2,11H,1,3H2.
What are the key properties of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(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 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 34175941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).