6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione

C7H9N5O2 — CID 135577860

IUPAC6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione
SMILES[H]/N=c1/c2[nH]c(=O)[nH]c2n(C)c(=O)n1C
InChIInChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-6(13)9-3)12(2)7(11)14/h8H,1-2H3,(H2,9,10,13)/b8-4-
InChIKeyQODFADPTUYFJNH-YWEYNIOJSA-N
MW195.18 g/mol
LogP-1.63
Rot. Bonds

About 6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione

6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione (PubChem CID 135577860) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione.

Molecular Properties

Compound Name6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione
PubChem CID135577860
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione
SMILES[H]/N=c1/c2[nH]c(=O)[nH]c2n(C)c(=O)n1C
InChIInChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-6(13)9-3)12(2)7(11)14/h8H,1-2H3,(H2,9,10,13)/b8-4-
InChIKeyQODFADPTUYFJNH-YWEYNIOJSA-N
XLogP-1.63
TPSA99.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione?
The IUPAC name of 6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione (CID 135577860) is 6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione.
What is the SMILES notation for 6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione?
The canonical SMILES for 6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione is [H]/N=c1/c2[nH]c(=O)[nH]c2n(C)c(=O)n1C.
What is the InChIKey of 6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione?
The InChIKey is QODFADPTUYFJNH-YWEYNIOJSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-11-4(8)3-5(10-6(13)9-3)12(2)7(11)14/h8H,1-2H3,(H2,9,10,13)/b8-4-.
What are the key properties of 6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione?
6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione has a molecular weight of 195.18 g/mol, XLogP of -1.63, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1,3-dimethyl-7,9-dihydropurine-2,8-dione is sourced from PubChem (CID 135577860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).