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

C6H8N4 — CID 10910771

IUPAC6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CNC2
InChIInChI=1S/C6H8N4/c7-6-9-2-4-1-8-3-5(4)10-6/h2,8H,1,3H2,(H2,7,9,10)
InChIKeyBNKWCEZPRJODQK-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.34
Rot. Bonds

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

6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 10910771) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
PubChem CID10910771
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CNC2
InChIInChI=1S/C6H8N4/c7-6-9-2-4-1-8-3-5(4)10-6/h2,8H,1,3H2,(H2,7,9,10)
InChIKeyBNKWCEZPRJODQK-UHFFFAOYSA-N
XLogP-0.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.34
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?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine (CID 10910771) is 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine is Nc1ncc2c(n1)CNC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
The InChIKey is BNKWCEZPRJODQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-6-9-2-4-1-8-3-5(4)10-6/h2,8H,1,3H2,(H2,7,9,10).
What are the key properties of 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine?
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 136.16 g/mol, XLogP of -0.34, 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 is sourced from PubChem (CID 10910771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).