6-methoxy-1,3-dimethylpteridine-2,4-dione

C9H10N4O3 — CID 1263221

IUPAC6-methoxy-1,3-dimethylpteridine-2,4-dione
SMILESCOc1cnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C9H10N4O3/c1-12-7-6(8(14)13(2)9(12)15)11-5(16-3)4-10-7/h4H,1-3H3
InChIKeyLHCHYZNPZLPSLB-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.96
Rot. Bonds1

About 6-methoxy-1,3-dimethylpteridine-2,4-dione

6-methoxy-1,3-dimethylpteridine-2,4-dione (PubChem CID 1263221) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 6-methoxy-1,3-dimethylpteridine-2,4-dione.

Molecular Properties

Compound Name6-methoxy-1,3-dimethylpteridine-2,4-dione
PubChem CID1263221
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name6-methoxy-1,3-dimethylpteridine-2,4-dione
SMILESCOc1cnc2c(n1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C9H10N4O3/c1-12-7-6(8(14)13(2)9(12)15)11-5(16-3)4-10-7/h4H,1-3H3
InChIKeyLHCHYZNPZLPSLB-UHFFFAOYSA-N
XLogP-0.96
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-dimethylpteridine-2,4-dione?
The IUPAC name of 6-methoxy-1,3-dimethylpteridine-2,4-dione (CID 1263221) is 6-methoxy-1,3-dimethylpteridine-2,4-dione.
What is the SMILES notation for 6-methoxy-1,3-dimethylpteridine-2,4-dione?
The canonical SMILES for 6-methoxy-1,3-dimethylpteridine-2,4-dione is COc1cnc2c(n1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-methoxy-1,3-dimethylpteridine-2,4-dione?
The InChIKey is LHCHYZNPZLPSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-12-7-6(8(14)13(2)9(12)15)11-5(16-3)4-10-7/h4H,1-3H3.
What are the key properties of 6-methoxy-1,3-dimethylpteridine-2,4-dione?
6-methoxy-1,3-dimethylpteridine-2,4-dione has a molecular weight of 222.20 g/mol, XLogP of -0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-dimethylpteridine-2,4-dione is sourced from PubChem (CID 1263221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).