6,7-dimethyl-1H-pteridine-2,4-dione

C8H8N4O2 — CID 5355834

IUPAC6,7-dimethyl-1H-pteridine-2,4-dione
SMILESCc1nc2[nH]c(=O)[nH]c(=O)c2nc1C
InChIInChI=1S/C8H8N4O2/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14)
InChIKeyYVGIYQOPTPWNER-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.38
Rot. Bonds

About 6,7-dimethyl-1H-pteridine-2,4-dione

6,7-dimethyl-1H-pteridine-2,4-dione (PubChem CID 5355834) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 6,7-dimethyl-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name6,7-dimethyl-1H-pteridine-2,4-dione
PubChem CID5355834
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name6,7-dimethyl-1H-pteridine-2,4-dione
SMILESCc1nc2[nH]c(=O)[nH]c(=O)c2nc1C
InChIInChI=1S/C8H8N4O2/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14)
InChIKeyYVGIYQOPTPWNER-UHFFFAOYSA-N
XLogP-0.38
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1H-pteridine-2,4-dione?
The IUPAC name of 6,7-dimethyl-1H-pteridine-2,4-dione (CID 5355834) is 6,7-dimethyl-1H-pteridine-2,4-dione.
What is the SMILES notation for 6,7-dimethyl-1H-pteridine-2,4-dione?
The canonical SMILES for 6,7-dimethyl-1H-pteridine-2,4-dione is Cc1nc2[nH]c(=O)[nH]c(=O)c2nc1C.
What is the InChIKey of 6,7-dimethyl-1H-pteridine-2,4-dione?
The InChIKey is YVGIYQOPTPWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14).
What are the key properties of 6,7-dimethyl-1H-pteridine-2,4-dione?
6,7-dimethyl-1H-pteridine-2,4-dione has a molecular weight of 192.18 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1H-pteridine-2,4-dione is sourced from PubChem (CID 5355834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).