2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C9H8N6O — CID 135566394

IUPAC2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(N)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16)
InChIKeyWFECBOHPSURSGU-UHFFFAOYSA-N
MW216.20 g/mol
LogP-0.04
Rot. Bonds

About 2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135566394) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135566394
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESNc1nc2cc3nc(N)[nH]c3cc2c(=O)[nH]1
InChIInChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16)
InChIKeyWFECBOHPSURSGU-UHFFFAOYSA-N
XLogP-0.04
TPSA126.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135566394) is 2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is Nc1nc2cc3nc(N)[nH]c3cc2c(=O)[nH]1.
What is the InChIKey of 2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is WFECBOHPSURSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16).
What are the key properties of 2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 216.20 g/mol, XLogP of -0.04, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135566394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).