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

C6H7ClN4 — CID 175186204

IUPAC7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2c1C=NC2
InChIInChI=1S/C6H6N4.ClH/c7-6-4-1-8-2-5(4)9-3-10-6;/h1,3H,2H2,(H2,7,9,10);1H
InChIKeyURRCSCASFOQDRG-UHFFFAOYSA-N
MW170.60 g/mol
LogP0.41
Rot. Bonds

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

7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 175186204) has the molecular formula C6H7ClN4 and a molecular weight of 170.60 g/mol. Its IUPAC name is 7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID175186204
Molecular FormulaC6H7ClN4
Molecular Weight170.60 g/mol
Exact Mass170.04
IUPAC Name7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCl.Nc1ncnc2c1C=NC2
InChIInChI=1S/C6H6N4.ClH/c7-6-4-1-8-2-5(4)9-3-10-6;/h1,3H,2H2,(H2,7,9,10);1H
InChIKeyURRCSCASFOQDRG-UHFFFAOYSA-N
XLogP0.41
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride (CID 175186204) is 7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride is Cl.Nc1ncnc2c1C=NC2.
What is the InChIKey of 7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is URRCSCASFOQDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.ClH/c7-6-4-1-8-2-5(4)9-3-10-6;/h1,3H,2H2,(H2,7,9,10);1H.
What are the key properties of 7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride?
7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 170.60 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 175186204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).