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

C9H10N4O2 — CID 822193

IUPAC1,6,7-trimethylpteridine-2,4-dione
SMILESCc1nc2c(=O)[nH]c(=O)n(C)c2nc1C
InChIInChI=1S/C9H10N4O2/c1-4-5(2)11-7-6(10-4)8(14)12-9(15)13(7)3/h1-3H3,(H,12,14,15)
InChIKeyXCOSZAUDQCILGD-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.37
Rot. Bonds

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

1,6,7-trimethylpteridine-2,4-dione (PubChem CID 822193) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1,6,7-trimethylpteridine-2,4-dione.

Molecular Properties

Compound Name1,6,7-trimethylpteridine-2,4-dione
PubChem CID822193
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name1,6,7-trimethylpteridine-2,4-dione
SMILESCc1nc2c(=O)[nH]c(=O)n(C)c2nc1C
InChIInChI=1S/C9H10N4O2/c1-4-5(2)11-7-6(10-4)8(14)12-9(15)13(7)3/h1-3H3,(H,12,14,15)
InChIKeyXCOSZAUDQCILGD-UHFFFAOYSA-N
XLogP-0.37
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethylpteridine-2,4-dione?
The IUPAC name of 1,6,7-trimethylpteridine-2,4-dione (CID 822193) is 1,6,7-trimethylpteridine-2,4-dione.
What is the SMILES notation for 1,6,7-trimethylpteridine-2,4-dione?
The canonical SMILES for 1,6,7-trimethylpteridine-2,4-dione is Cc1nc2c(=O)[nH]c(=O)n(C)c2nc1C.
What is the InChIKey of 1,6,7-trimethylpteridine-2,4-dione?
The InChIKey is XCOSZAUDQCILGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-4-5(2)11-7-6(10-4)8(14)12-9(15)13(7)3/h1-3H3,(H,12,14,15).
What are the key properties of 1,6,7-trimethylpteridine-2,4-dione?
1,6,7-trimethylpteridine-2,4-dione has a molecular weight of 206.20 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethylpteridine-2,4-dione is sourced from PubChem (CID 822193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).