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

C6H8ClN3 — CID 54758847

IUPAC6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCl.c1ncc2c(n1)CNC2
InChIInChI=1S/C6H7N3.ClH/c1-5-2-8-4-9-6(5)3-7-1;/h2,4,7H,1,3H2;1H
InChIKeyWDFQZHPCXADCEZ-UHFFFAOYSA-N
MW157.60 g/mol
LogP0.50
Rot. Bonds

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

6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (PubChem CID 54758847) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
PubChem CID54758847
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCl.c1ncc2c(n1)CNC2
InChIInChI=1S/C6H7N3.ClH/c1-5-2-8-4-9-6(5)3-7-1;/h2,4,7H,1,3H2;1H
InChIKeyWDFQZHPCXADCEZ-UHFFFAOYSA-N
XLogP0.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (CID 54758847) is 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride is Cl.c1ncc2c(n1)CNC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The InChIKey is WDFQZHPCXADCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.ClH/c1-5-2-8-4-9-6(5)3-7-1;/h2,4,7H,1,3H2;1H.
What are the key properties of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride has a molecular weight of 157.60 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 54758847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).