4-methoxy-2,6-dimethyl-8H-pteridin-7-one

C9H10N4O2 — CID 23857055

IUPAC4-methoxy-2,6-dimethyl-8H-pteridin-7-one
SMILESCOc1nc(C)nc2[nH]c(=O)c(C)nc12
InChIInChI=1S/C9H10N4O2/c1-4-8(14)13-7-6(10-4)9(15-3)12-5(2)11-7/h1-3H3,(H,11,12,13,14)
InChIKeyNELUJCBNTLAMCL-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.34
Rot. Bonds1

About 4-methoxy-2,6-dimethyl-8H-pteridin-7-one

4-methoxy-2,6-dimethyl-8H-pteridin-7-one (PubChem CID 23857055) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-8H-pteridin-7-one.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-8H-pteridin-7-one
PubChem CID23857055
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name4-methoxy-2,6-dimethyl-8H-pteridin-7-one
SMILESCOc1nc(C)nc2[nH]c(=O)c(C)nc12
InChIInChI=1S/C9H10N4O2/c1-4-8(14)13-7-6(10-4)9(15-3)12-5(2)11-7/h1-3H3,(H,11,12,13,14)
InChIKeyNELUJCBNTLAMCL-UHFFFAOYSA-N
XLogP0.34
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-8H-pteridin-7-one?
The IUPAC name of 4-methoxy-2,6-dimethyl-8H-pteridin-7-one (CID 23857055) is 4-methoxy-2,6-dimethyl-8H-pteridin-7-one.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-8H-pteridin-7-one?
The canonical SMILES for 4-methoxy-2,6-dimethyl-8H-pteridin-7-one is COc1nc(C)nc2[nH]c(=O)c(C)nc12.
What is the InChIKey of 4-methoxy-2,6-dimethyl-8H-pteridin-7-one?
The InChIKey is NELUJCBNTLAMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-4-8(14)13-7-6(10-4)9(15-3)12-5(2)11-7/h1-3H3,(H,11,12,13,14).
What are the key properties of 4-methoxy-2,6-dimethyl-8H-pteridin-7-one?
4-methoxy-2,6-dimethyl-8H-pteridin-7-one has a molecular weight of 206.20 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-8H-pteridin-7-one is sourced from PubChem (CID 23857055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).