7-methoxy-1,3,6-trimethylpteridine-2,4-dione

C10H12N4O3 — CID 69440037

IUPAC7-methoxy-1,3,6-trimethylpteridine-2,4-dione
SMILESCOc1nc2c(nc1C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H12N4O3/c1-5-8(17-4)12-7-6(11-5)9(15)14(3)10(16)13(7)2/h1-4H3
InChIKeyFVPCBACYWIXFQY-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.66
Rot. Bonds1

About 7-methoxy-1,3,6-trimethylpteridine-2,4-dione

7-methoxy-1,3,6-trimethylpteridine-2,4-dione (PubChem CID 69440037) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 7-methoxy-1,3,6-trimethylpteridine-2,4-dione.

Molecular Properties

Compound Name7-methoxy-1,3,6-trimethylpteridine-2,4-dione
PubChem CID69440037
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name7-methoxy-1,3,6-trimethylpteridine-2,4-dione
SMILESCOc1nc2c(nc1C)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C10H12N4O3/c1-5-8(17-4)12-7-6(11-5)9(15)14(3)10(16)13(7)2/h1-4H3
InChIKeyFVPCBACYWIXFQY-UHFFFAOYSA-N
XLogP-0.66
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,3,6-trimethylpteridine-2,4-dione?
The IUPAC name of 7-methoxy-1,3,6-trimethylpteridine-2,4-dione (CID 69440037) is 7-methoxy-1,3,6-trimethylpteridine-2,4-dione.
What is the SMILES notation for 7-methoxy-1,3,6-trimethylpteridine-2,4-dione?
The canonical SMILES for 7-methoxy-1,3,6-trimethylpteridine-2,4-dione is COc1nc2c(nc1C)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-methoxy-1,3,6-trimethylpteridine-2,4-dione?
The InChIKey is FVPCBACYWIXFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5-8(17-4)12-7-6(11-5)9(15)14(3)10(16)13(7)2/h1-4H3.
What are the key properties of 7-methoxy-1,3,6-trimethylpteridine-2,4-dione?
7-methoxy-1,3,6-trimethylpteridine-2,4-dione has a molecular weight of 236.23 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,3,6-trimethylpteridine-2,4-dione is sourced from PubChem (CID 69440037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).