2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione

C6H6N4O2 — CID 135426860

IUPAC2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)CNC2=O
InChIInChI=1S/C6H6N4O2/c7-6-9-3-2(4(11)10-6)1-8-5(3)12/h1H2,(H,8,12)(H3,7,9,10,11)
InChIKeyBYFPJRGDCJUKTC-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.40
Rot. Bonds

About 2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione

2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione (PubChem CID 135426860) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione
PubChem CID135426860
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione
SMILESNc1nc2c(c(=O)[nH]1)CNC2=O
InChIInChI=1S/C6H6N4O2/c7-6-9-3-2(4(11)10-6)1-8-5(3)12/h1H2,(H,8,12)(H3,7,9,10,11)
InChIKeyBYFPJRGDCJUKTC-UHFFFAOYSA-N
XLogP-1.40
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione (CID 135426860) is 2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione is Nc1nc2c(c(=O)[nH]1)CNC2=O.
What is the InChIKey of 2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione?
The InChIKey is BYFPJRGDCJUKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c7-6-9-3-2(4(11)10-6)1-8-5(3)12/h1H2,(H,8,12)(H3,7,9,10,11).
What are the key properties of 2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione?
2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione has a molecular weight of 166.14 g/mol, XLogP of -1.40, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dihydro-3H-pyrrolo[3,4-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135426860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).