6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride

C6H7ClN4 — CID 141186688

IUPAC6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2c[nH]cc12
InChIInChI=1S/C6H6N4.ClH/c7-6-4-1-8-2-5(4)9-3-10-6;/h1-3,8H,(H2,7,9,10);1H
InChIKeyOFPMXYXTPJWSIF-UHFFFAOYSA-N
MW170.60 g/mol
LogP0.96
Rot. Bonds

About 6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride

6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 141186688) has the molecular formula C6H7ClN4 and a molecular weight of 170.60 g/mol. Its IUPAC name is 6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID141186688
Molecular FormulaC6H7ClN4
Molecular Weight170.60 g/mol
Exact Mass170.04
IUPAC Name6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2c[nH]cc12
InChIInChI=1S/C6H6N4.ClH/c7-6-4-1-8-2-5(4)9-3-10-6;/h1-3,8H,(H2,7,9,10);1H
InChIKeyOFPMXYXTPJWSIF-UHFFFAOYSA-N
XLogP0.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride (CID 141186688) is 6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride is Cl.Nc1ncnc2c[nH]cc12.
What is the InChIKey of 6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is OFPMXYXTPJWSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.ClH/c7-6-4-1-8-2-5(4)9-3-10-6;/h1-3,8H,(H2,7,9,10);1H.
What are the key properties of 6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride?
6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 170.60 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 141186688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).