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

C7H7ClF3N3 — CID 84819314

IUPAC2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1ncc2c(n1)CNC2
InChIInChI=1S/C7H6F3N3.ClH/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6;/h2,11H,1,3H2;1H
InChIKeyHMBRJANRTULNIU-UHFFFAOYSA-N
MW225.60 g/mol
LogP1.52
Rot. Bonds

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

2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (PubChem CID 84819314) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
PubChem CID84819314
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC Name2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1ncc2c(n1)CNC2
InChIInChI=1S/C7H6F3N3.ClH/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6;/h2,11H,1,3H2;1H
InChIKeyHMBRJANRTULNIU-UHFFFAOYSA-N
XLogP1.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (CID 84819314) is 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride is Cl.FC(F)(F)c1ncc2c(n1)CNC2.
What is the InChIKey of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The InChIKey is HMBRJANRTULNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3.ClH/c8-7(9,10)6-12-2-4-1-11-3-5(4)13-6;/h2,11H,1,3H2;1H.
What are the key properties of 2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride has a molecular weight of 225.60 g/mol, XLogP of 1.52, 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;hydrochloride is sourced from PubChem (CID 84819314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).