6-imino-3,9-dimethyl-7H-purin-8-one

C7H9N5O — CID 10678910

IUPAC6-imino-3,9-dimethyl-7H-purin-8-one
SMILES[H]/N=c1\ncn(C)c2c1[nH]c(=O)n2C
InChIInChI=1S/C7H9N5O/c1-11-3-9-5(8)4-6(11)12(2)7(13)10-4/h3,8H,1-2H3,(H,10,13)/b8-5-
InChIKeyGVYUSYWFZHADJL-YVMONPNESA-N
MW179.18 g/mol
LogP-0.92
Rot. Bonds

About 6-imino-3,9-dimethyl-7H-purin-8-one

6-imino-3,9-dimethyl-7H-purin-8-one (PubChem CID 10678910) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-imino-3,9-dimethyl-7H-purin-8-one.

Molecular Properties

Compound Name6-imino-3,9-dimethyl-7H-purin-8-one
PubChem CID10678910
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name6-imino-3,9-dimethyl-7H-purin-8-one
SMILES[H]/N=c1\ncn(C)c2c1[nH]c(=O)n2C
InChIInChI=1S/C7H9N5O/c1-11-3-9-5(8)4-6(11)12(2)7(13)10-4/h3,8H,1-2H3,(H,10,13)/b8-5-
InChIKeyGVYUSYWFZHADJL-YVMONPNESA-N
XLogP-0.92
TPSA79.46 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 ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-imino-3,9-dimethyl-7H-purin-8-one 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

1,9-dimethyl-2,8-dioxo-2,3,8,9-tetrahydro-1H-purin-6(7H)-iminium chloride
CID 46915369
6-imino-1,3,9-trimethyl-7H-purine-2,8-dione
CID 162652377
Caissarone
CID 129212
6-Amino-9-methyl-1,7-dihydropurine-2,8-dione;hydrochloride
CID 46915512
6-Imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione;hydrochloride
CID 136032523
6-amino-3,9-dimethyl-7H-purine-2,8-dione;hydrochloride
CID 46915371
6-Imino-3,9-dimethyl-7,9-dihydro-1h-purine-2,8(3h,6h)-dione
CID 46915372
6-Amino-1,3-dimethyl-1H-purine-2,8(3H,7H)-dione
CID 135577860
6-Amino-9-methyl-1,7-dihydropurine-2,8-dione
CID 46915513
6-Imino-1,9-dimethyl-8-oxopurine
CID 180731
1,9-Dimethyl-8-oxoisoguanine
CID 46915370
6-amino-9-methyl-1H-purin-2-one
CID 12205247

Frequently Asked Questions

What is the IUPAC name of 6-imino-3,9-dimethyl-7H-purin-8-one?
The IUPAC name of 6-imino-3,9-dimethyl-7H-purin-8-one (CID 10678910) is 6-imino-3,9-dimethyl-7H-purin-8-one.
What is the SMILES notation for 6-imino-3,9-dimethyl-7H-purin-8-one?
The canonical SMILES for 6-imino-3,9-dimethyl-7H-purin-8-one is [H]/N=c1\ncn(C)c2c1[nH]c(=O)n2C.
What is the InChIKey of 6-imino-3,9-dimethyl-7H-purin-8-one?
The InChIKey is GVYUSYWFZHADJL-YVMONPNESA-N. The full InChI is InChI=1S/C7H9N5O/c1-11-3-9-5(8)4-6(11)12(2)7(13)10-4/h3,8H,1-2H3,(H,10,13)/b8-5-.
What are the key properties of 6-imino-3,9-dimethyl-7H-purin-8-one?
6-imino-3,9-dimethyl-7H-purin-8-one has a molecular weight of 179.18 g/mol, XLogP of -0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-3,9-dimethyl-7H-purin-8-one is sourced from PubChem (CID 10678910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).