3,7-dihydropurine-2,6-dione;quinazoline

C13H10N6O2 — CID 158880435

IUPAC3,7-dihydropurine-2,6-dione;quinazoline
SMILESO=c1[nH]c(=O)c2[nH]cnc2[nH]1.c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.C5H4N4O2/c1-2-4-8-7(3-1)5-9-6-10-8;10-4-2-3(7-1-6-2)8-5(11)9-4/h1-6H;1H,(H3,6,7,8,9,10,11)
InChIKeyJCYQJTGXDZLLHO-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.57
Rot. Bonds

About 3,7-dihydropurine-2,6-dione;quinazoline

3,7-dihydropurine-2,6-dione;quinazoline (PubChem CID 158880435) has the molecular formula C13H10N6O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3,7-dihydropurine-2,6-dione;quinazoline.

Molecular Properties

Compound Name3,7-dihydropurine-2,6-dione;quinazoline
PubChem CID158880435
Molecular FormulaC13H10N6O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name3,7-dihydropurine-2,6-dione;quinazoline
SMILESO=c1[nH]c(=O)c2[nH]cnc2[nH]1.c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.C5H4N4O2/c1-2-4-8-7(3-1)5-9-6-10-8;10-4-2-3(7-1-6-2)8-5(11)9-4/h1-6H;1H,(H3,6,7,8,9,10,11)
InChIKeyJCYQJTGXDZLLHO-UHFFFAOYSA-N
XLogP0.57
TPSA120.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,7-dihydropurine-2,6-dione;quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-dihydropurine-2,6-dione;dihydrochloride
CID 141330661
acetamide;3,7-dihydropurine-2,6-dione
CID 174974977
quinazoline;sulfuric acid
CID 68666384
phenanthrene;quinazoline
CID 175352249
pyridine;quinazoline;hydrofluoride
CID 159567796
1H-pyrazole;quinazoline
CID 157207291
8-deuterio-3,7-dihydropurine-2,6-dione
CID 54048514
2-aminobutanedioic acid;3,7-dihydropurine-2,6-dione
CID 71061380
2,1-benzothiazole;quinazoline
CID 145320674
1,2-dihydrocinnoline;quinazoline
CID 177193666
2-hydroxypropanoic acid;quinazoline
CID 157213189
N,N-dimethylnitramide;quinazoline
CID 18176213

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydropurine-2,6-dione;quinazoline?
The IUPAC name of 3,7-dihydropurine-2,6-dione;quinazoline (CID 158880435) is 3,7-dihydropurine-2,6-dione;quinazoline.
What is the SMILES notation for 3,7-dihydropurine-2,6-dione;quinazoline?
The canonical SMILES for 3,7-dihydropurine-2,6-dione;quinazoline is O=c1[nH]c(=O)c2[nH]cnc2[nH]1.c1ccc2ncncc2c1.
What is the InChIKey of 3,7-dihydropurine-2,6-dione;quinazoline?
The InChIKey is JCYQJTGXDZLLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C5H4N4O2/c1-2-4-8-7(3-1)5-9-6-10-8;10-4-2-3(7-1-6-2)8-5(11)9-4/h1-6H;1H,(H3,6,7,8,9,10,11).
What are the key properties of 3,7-dihydropurine-2,6-dione;quinazoline?
3,7-dihydropurine-2,6-dione;quinazoline has a molecular weight of 282.26 g/mol, XLogP of 0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydropurine-2,6-dione;quinazoline is sourced from PubChem (CID 158880435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).