6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride

C6H10Cl2N4 — CID 53438321

IUPAC6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ncc2c(n1)CNC2
InChIInChI=1S/C6H8N4.2ClH/c7-6-9-2-4-1-8-3-5(4)10-6;;/h2,8H,1,3H2,(H2,7,9,10);2*1H
InChIKeyIDVFIDIYCKHAEX-UHFFFAOYSA-N
MW209.08 g/mol
LogP0.51
Rot. Bonds

About 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride

6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride (PubChem CID 53438321) has the molecular formula C6H10Cl2N4 and a molecular weight of 209.08 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride
PubChem CID53438321
Molecular FormulaC6H10Cl2N4
Molecular Weight209.08 g/mol
Exact Mass208.03
IUPAC Name6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ncc2c(n1)CNC2
InChIInChI=1S/C6H8N4.2ClH/c7-6-9-2-4-1-8-3-5(4)10-6;;/h2,8H,1,3H2,(H2,7,9,10);2*1H
InChIKeyIDVFIDIYCKHAEX-UHFFFAOYSA-N
XLogP0.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride (CID 53438321) is 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride is Cl.Cl.Nc1ncc2c(n1)CNC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride?
The InChIKey is IDVFIDIYCKHAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4.2ClH/c7-6-9-2-4-1-8-3-5(4)10-6;;/h2,8H,1,3H2,(H2,7,9,10);2*1H.
What are the key properties of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride?
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride has a molecular weight of 209.08 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 53438321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).