6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one

C7H10N4O2 — CID 57080956

IUPAC6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one
SMILESCN1C(=O)N(C)C2N=CNC2=C1O
InChIInChI=1S/C7H10N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3,5,12H,1-2H3,(H,8,9)
InChIKeyMZNJSAJWGUPRKQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.33
Rot. Bonds

About 6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one

6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one (PubChem CID 57080956) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one
PubChem CID57080956
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one
SMILESCN1C(=O)N(C)C2N=CNC2=C1O
InChIInChI=1S/C7H10N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3,5,12H,1-2H3,(H,8,9)
InChIKeyMZNJSAJWGUPRKQ-UHFFFAOYSA-N
XLogP-0.33
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one?
The IUPAC name of 6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one (CID 57080956) is 6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one is CN1C(=O)N(C)C2N=CNC2=C1O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one?
The InChIKey is MZNJSAJWGUPRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3,5,12H,1-2H3,(H,8,9).
What are the key properties of 6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one?
6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one has a molecular weight of 182.18 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-4,7-dihydropurin-2-one is sourced from PubChem (CID 57080956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).