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

C7H9N5O2 — CID 46915370

IUPAC6-amino-1,9-dimethyl-7H-purine-2,8-dione
SMILESCn1c(N)c2[nH]c(=O)n(C)c2nc1=O
InChIInChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
InChIKeyKGPUFODTNGATQW-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.46
Rot. Bonds

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

6-amino-1,9-dimethyl-7H-purine-2,8-dione (PubChem CID 46915370) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 6-amino-1,9-dimethyl-7H-purine-2,8-dione.

Molecular Properties

Compound Name6-amino-1,9-dimethyl-7H-purine-2,8-dione
PubChem CID46915370
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name6-amino-1,9-dimethyl-7H-purine-2,8-dione
SMILESCn1c(N)c2[nH]c(=O)n(C)c2nc1=O
InChIInChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13)
InChIKeyKGPUFODTNGATQW-UHFFFAOYSA-N
XLogP-1.46
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,9-dimethyl-7H-purine-2,8-dione?
The IUPAC name of 6-amino-1,9-dimethyl-7H-purine-2,8-dione (CID 46915370) is 6-amino-1,9-dimethyl-7H-purine-2,8-dione.
What is the SMILES notation for 6-amino-1,9-dimethyl-7H-purine-2,8-dione?
The canonical SMILES for 6-amino-1,9-dimethyl-7H-purine-2,8-dione is Cn1c(N)c2[nH]c(=O)n(C)c2nc1=O.
What is the InChIKey of 6-amino-1,9-dimethyl-7H-purine-2,8-dione?
The InChIKey is KGPUFODTNGATQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-7(11)14)12(2)6(13)9-3/h8H2,1-2H3,(H,9,13).
What are the key properties of 6-amino-1,9-dimethyl-7H-purine-2,8-dione?
6-amino-1,9-dimethyl-7H-purine-2,8-dione has a molecular weight of 195.18 g/mol, XLogP of -1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,9-dimethyl-7H-purine-2,8-dione is sourced from PubChem (CID 46915370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).