6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

C10H10N6O — CID 135566919

IUPAC6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCNc1nc2cc3nc(N)[nH]c(=O)c3cc2[nH]1
InChIInChI=1S/C10H10N6O/c1-12-10-14-6-2-4-5(3-7(6)15-10)13-9(11)16-8(4)17/h2-3H,1H3,(H2,12,14,15)(H3,11,13,16,17)
InChIKeyMRAWGMPHZYODAJ-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.42
Rot. Bonds1

About 6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one

6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (PubChem CID 135566919) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.

Molecular Properties

Compound Name6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
PubChem CID135566919
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
SMILESCNc1nc2cc3nc(N)[nH]c(=O)c3cc2[nH]1
InChIInChI=1S/C10H10N6O/c1-12-10-14-6-2-4-5(3-7(6)15-10)13-9(11)16-8(4)17/h2-3H,1H3,(H2,12,14,15)(H3,11,13,16,17)
InChIKeyMRAWGMPHZYODAJ-UHFFFAOYSA-N
XLogP0.42
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The IUPAC name of 6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one (CID 135566919) is 6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one.
What is the SMILES notation for 6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The canonical SMILES for 6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is CNc1nc2cc3nc(N)[nH]c(=O)c3cc2[nH]1.
What is the InChIKey of 6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
The InChIKey is MRAWGMPHZYODAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-12-10-14-6-2-4-5(3-7(6)15-10)13-9(11)16-8(4)17/h2-3H,1H3,(H2,12,14,15)(H3,11,13,16,17).
What are the key properties of 6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one?
6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one has a molecular weight of 230.23 g/mol, XLogP of 0.42, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one is sourced from PubChem (CID 135566919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).