1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione

C7H10N4O2 — CID 15038685

IUPAC1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione
SMILESCN1CNc2[nH]c(=O)n(C)c(=O)c21
InChIInChI=1S/C7H10N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h8H,3H2,1-2H3,(H,9,13)
InChIKeyLYHPDXGNZQZUBZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.11
Rot. Bonds

About 1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione

1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione (PubChem CID 15038685) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione.

Molecular Properties

Compound Name1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione
PubChem CID15038685
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione
SMILESCN1CNc2[nH]c(=O)n(C)c(=O)c21
InChIInChI=1S/C7H10N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h8H,3H2,1-2H3,(H,9,13)
InChIKeyLYHPDXGNZQZUBZ-UHFFFAOYSA-N
XLogP-1.11
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione?
The IUPAC name of 1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione (CID 15038685) is 1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione.
What is the SMILES notation for 1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione?
The canonical SMILES for 1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione is CN1CNc2[nH]c(=O)n(C)c(=O)c21.
What is the InChIKey of 1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione?
The InChIKey is LYHPDXGNZQZUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h8H,3H2,1-2H3,(H,9,13).
What are the key properties of 1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione?
1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione has a molecular weight of 182.18 g/mol, XLogP of -1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-8,9-dihydro-3H-purine-2,6-dione is sourced from PubChem (CID 15038685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).