6-amino-3,9-dimethyl-7H-purine-2,8-dione

C7H9N5O2 — CID 46915372

IUPAC6-amino-3,9-dimethyl-7H-purine-2,8-dione
SMILESCn1c(=O)nc(N)c2[nH]c(=O)n(C)c21
InChIInChI=1S/C7H9N5O2/c1-11-5-3(9-6(11)13)4(8)10-7(14)12(5)2/h1-2H3,(H,9,13)(H2,8,10,14)
InChIKeyPGIDADRKLVPTLG-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.46
Rot. Bonds

About 6-amino-3,9-dimethyl-7H-purine-2,8-dione

6-amino-3,9-dimethyl-7H-purine-2,8-dione (PubChem CID 46915372) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 6-amino-3,9-dimethyl-7H-purine-2,8-dione.

Molecular Properties

Compound Name6-amino-3,9-dimethyl-7H-purine-2,8-dione
PubChem CID46915372
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name6-amino-3,9-dimethyl-7H-purine-2,8-dione
SMILESCn1c(=O)nc(N)c2[nH]c(=O)n(C)c21
InChIInChI=1S/C7H9N5O2/c1-11-5-3(9-6(11)13)4(8)10-7(14)12(5)2/h1-2H3,(H,9,13)(H2,8,10,14)
InChIKeyPGIDADRKLVPTLG-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-3,9-dimethyl-7H-purine-2,8-dione?
The IUPAC name of 6-amino-3,9-dimethyl-7H-purine-2,8-dione (CID 46915372) is 6-amino-3,9-dimethyl-7H-purine-2,8-dione.
What is the SMILES notation for 6-amino-3,9-dimethyl-7H-purine-2,8-dione?
The canonical SMILES for 6-amino-3,9-dimethyl-7H-purine-2,8-dione is Cn1c(=O)nc(N)c2[nH]c(=O)n(C)c21.
What is the InChIKey of 6-amino-3,9-dimethyl-7H-purine-2,8-dione?
The InChIKey is PGIDADRKLVPTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-11-5-3(9-6(11)13)4(8)10-7(14)12(5)2/h1-2H3,(H,9,13)(H2,8,10,14).
What are the key properties of 6-amino-3,9-dimethyl-7H-purine-2,8-dione?
6-amino-3,9-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-3,9-dimethyl-7H-purine-2,8-dione is sourced from PubChem (CID 46915372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).