8-amino-3,6-dimethyl-7H-purin-2-one

C7H9N5O — CID 137172748

IUPAC8-amino-3,6-dimethyl-7H-purin-2-one
SMILESCc1nc(=O)n(C)c2nc(N)[nH]c12
InChIInChI=1S/C7H9N5O/c1-3-4-5(11-6(8)10-4)12(2)7(13)9-3/h1-2H3,(H3,8,10,11)
InChIKeyJHTZUGLJOQROLC-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.45
Rot. Bonds

About 8-amino-3,6-dimethyl-7H-purin-2-one

8-amino-3,6-dimethyl-7H-purin-2-one (PubChem CID 137172748) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 8-amino-3,6-dimethyl-7H-purin-2-one.

Molecular Properties

Compound Name8-amino-3,6-dimethyl-7H-purin-2-one
PubChem CID137172748
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name8-amino-3,6-dimethyl-7H-purin-2-one
SMILESCc1nc(=O)n(C)c2nc(N)[nH]c12
InChIInChI=1S/C7H9N5O/c1-3-4-5(11-6(8)10-4)12(2)7(13)9-3/h1-2H3,(H3,8,10,11)
InChIKeyJHTZUGLJOQROLC-UHFFFAOYSA-N
XLogP-0.45
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione
CID 23516186
8-amino-3-butyl-1-methyl-7H-purine-2,6-dione
CID 82464669
3,8-diamino-7H-purine-2,6-dione
CID 66980062
3,6,8-trimethyl-7H-purine-2-thione
CID 135852939
6-amino-3-methyl-7,9-dihydropurine-2,8-dione
CID 137180919
2-amino-9-methyl-6-oxo-1H-purine-8-carbaldehyde
CID 137003628
8-amino-3-(2-methoxyethyl)-7H-purine-2,6-dione
CID 82465398
5-amino-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 136596195
1,4-dimethyl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
CID 170359952
2-amino-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 142932958
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
5-(2-aminoethyl)-1,4,6-trimethylpyrimidin-2-one
CID 82503860

Frequently Asked Questions

What is the IUPAC name of 8-amino-3,6-dimethyl-7H-purin-2-one?
The IUPAC name of 8-amino-3,6-dimethyl-7H-purin-2-one (CID 137172748) is 8-amino-3,6-dimethyl-7H-purin-2-one.
What is the SMILES notation for 8-amino-3,6-dimethyl-7H-purin-2-one?
The canonical SMILES for 8-amino-3,6-dimethyl-7H-purin-2-one is Cc1nc(=O)n(C)c2nc(N)[nH]c12.
What is the InChIKey of 8-amino-3,6-dimethyl-7H-purin-2-one?
The InChIKey is JHTZUGLJOQROLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-3-4-5(11-6(8)10-4)12(2)7(13)9-3/h1-2H3,(H3,8,10,11).
What are the key properties of 8-amino-3,6-dimethyl-7H-purin-2-one?
8-amino-3,6-dimethyl-7H-purin-2-one has a molecular weight of 179.18 g/mol, XLogP of -0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3,6-dimethyl-7H-purin-2-one is sourced from PubChem (CID 137172748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).