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

C6H6ClN3 — CID 70382597

IUPAC7H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESC1=NCc2ncncc21.Cl
InChIInChI=1S/C6H5N3.ClH/c1-5-2-8-4-9-6(5)3-7-1;/h1-2,4H,3H2;1H
InChIKeyDPPIAQXWUVKVPE-UHFFFAOYSA-N
MW155.59 g/mol
LogP0.83
Rot. Bonds

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

7H-pyrrolo[3,4-d]pyrimidine;hydrochloride (PubChem CID 70382597) has the molecular formula C6H6ClN3 and a molecular weight of 155.59 g/mol. Its IUPAC name is 7H-pyrrolo[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name7H-pyrrolo[3,4-d]pyrimidine;hydrochloride
PubChem CID70382597
Molecular FormulaC6H6ClN3
Molecular Weight155.59 g/mol
Exact Mass155.03
IUPAC Name7H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESC1=NCc2ncncc21.Cl
InChIInChI=1S/C6H5N3.ClH/c1-5-2-8-4-9-6(5)3-7-1;/h1-2,4H,3H2;1H
InChIKeyDPPIAQXWUVKVPE-UHFFFAOYSA-N
XLogP0.83
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.59
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 7H-pyrrolo[3,4-d]pyrimidine;hydrochloride (CID 70382597) is 7H-pyrrolo[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 7H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 7H-pyrrolo[3,4-d]pyrimidine;hydrochloride is C1=NCc2ncncc21.Cl.
What is the InChIKey of 7H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The InChIKey is DPPIAQXWUVKVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.ClH/c1-5-2-8-4-9-6(5)3-7-1;/h1-2,4H,3H2;1H.
What are the key properties of 7H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
7H-pyrrolo[3,4-d]pyrimidine;hydrochloride has a molecular weight of 155.59 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 70382597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).