3,6-dimethyl-8H-pteridine-2,7-dione

C8H8N4O2 — CID 122545041

IUPAC3,6-dimethyl-8H-pteridine-2,7-dione
SMILESCc1nc2cn(C)c(=O)nc2[nH]c1=O
InChIInChI=1S/C8H8N4O2/c1-4-7(13)10-6-5(9-4)3-12(2)8(14)11-6/h3H,1-2H3,(H,10,11,13,14)
InChIKeyWMDKPDBNYZHBDN-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.67
Rot. Bonds

About 3,6-dimethyl-8H-pteridine-2,7-dione

3,6-dimethyl-8H-pteridine-2,7-dione (PubChem CID 122545041) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3,6-dimethyl-8H-pteridine-2,7-dione.

Molecular Properties

Compound Name3,6-dimethyl-8H-pteridine-2,7-dione
PubChem CID122545041
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name3,6-dimethyl-8H-pteridine-2,7-dione
SMILESCc1nc2cn(C)c(=O)nc2[nH]c1=O
InChIInChI=1S/C8H8N4O2/c1-4-7(13)10-6-5(9-4)3-12(2)8(14)11-6/h3H,1-2H3,(H,10,11,13,14)
InChIKeyWMDKPDBNYZHBDN-UHFFFAOYSA-N
XLogP-0.67
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-8H-pteridine-2,7-dione?
The IUPAC name of 3,6-dimethyl-8H-pteridine-2,7-dione (CID 122545041) is 3,6-dimethyl-8H-pteridine-2,7-dione.
What is the SMILES notation for 3,6-dimethyl-8H-pteridine-2,7-dione?
The canonical SMILES for 3,6-dimethyl-8H-pteridine-2,7-dione is Cc1nc2cn(C)c(=O)nc2[nH]c1=O.
What is the InChIKey of 3,6-dimethyl-8H-pteridine-2,7-dione?
The InChIKey is WMDKPDBNYZHBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-4-7(13)10-6-5(9-4)3-12(2)8(14)11-6/h3H,1-2H3,(H,10,11,13,14).
What are the key properties of 3,6-dimethyl-8H-pteridine-2,7-dione?
3,6-dimethyl-8H-pteridine-2,7-dione has a molecular weight of 192.18 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-8H-pteridine-2,7-dione is sourced from PubChem (CID 122545041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).