1,3-dimethyl-7,8-dihydropurin-2-one

C7H10N4O — CID 91219653

IUPAC1,3-dimethyl-7,8-dihydropurin-2-one
SMILESCN1C=C2NCN=C2N(C)C1=O
InChIInChI=1S/C7H10N4O/c1-10-3-5-6(9-4-8-5)11(2)7(10)12/h3,8H,4H2,1-2H3
InChIKeyJMMUEUQPNMRBIV-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.22
Rot. Bonds

About 1,3-dimethyl-7,8-dihydropurin-2-one

1,3-dimethyl-7,8-dihydropurin-2-one (PubChem CID 91219653) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1,3-dimethyl-7,8-dihydropurin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-7,8-dihydropurin-2-one
PubChem CID91219653
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1,3-dimethyl-7,8-dihydropurin-2-one
SMILESCN1C=C2NCN=C2N(C)C1=O
InChIInChI=1S/C7H10N4O/c1-10-3-5-6(9-4-8-5)11(2)7(10)12/h3,8H,4H2,1-2H3
InChIKeyJMMUEUQPNMRBIV-UHFFFAOYSA-N
XLogP-0.22
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-hydroxypurine
CID 12257631
purine-2,8(1H,7H)-dione, 1-methyl-
CID 23422305
purin-8(3H)-one, 3-methyl-
CID 85804802
purin-8(1H)-one, 1-methyl-
CID 119097784
8-fluoro-1-propan-2-yl-7H-purin-2-one
CID 122543803
8-fluoro-1-methyl-7H-purin-2-one
CID 122545074
1-Methyl-2-hydroxy-7,9-dihydropurin-8-one
CID 129661190
Chloro-3,7-dimethyldihydropurinium chloride
CID 129779481
1,3-Dimethyl-2,8-dioxo purine
CID 129818009
1,3,7-Trimethylpurine-2,8-dione
CID 19864741
1,3-Dimethylpurin-2-one
CID 20781927
S-[(2-amino-3-methyl-2H-purin-1-yl)] carbamothioate
CID 57290949

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7,8-dihydropurin-2-one?
The IUPAC name of 1,3-dimethyl-7,8-dihydropurin-2-one (CID 91219653) is 1,3-dimethyl-7,8-dihydropurin-2-one.
What is the SMILES notation for 1,3-dimethyl-7,8-dihydropurin-2-one?
The canonical SMILES for 1,3-dimethyl-7,8-dihydropurin-2-one is CN1C=C2NCN=C2N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-7,8-dihydropurin-2-one?
The InChIKey is JMMUEUQPNMRBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-10-3-5-6(9-4-8-5)11(2)7(10)12/h3,8H,4H2,1-2H3.
What are the key properties of 1,3-dimethyl-7,8-dihydropurin-2-one?
1,3-dimethyl-7,8-dihydropurin-2-one has a molecular weight of 166.18 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7,8-dihydropurin-2-one is sourced from PubChem (CID 91219653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).