8-cyclopropyl-2-methoxy-6-methylpteridin-7-one

C11H12N4O2 — CID 3234207

IUPAC8-cyclopropyl-2-methoxy-6-methylpteridin-7-one
SMILESCOc1ncc2nc(C)c(=O)n(C3CC3)c2n1
InChIInChI=1S/C11H12N4O2/c1-6-10(16)15(7-3-4-7)9-8(13-6)5-12-11(14-9)17-2/h5,7H,3-4H2,1-2H3
InChIKeySAYDZQKTAFAYBQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.84
Rot. Bonds2

About 8-cyclopropyl-2-methoxy-6-methylpteridin-7-one

8-cyclopropyl-2-methoxy-6-methylpteridin-7-one (PubChem CID 3234207) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 8-cyclopropyl-2-methoxy-6-methylpteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-methoxy-6-methylpteridin-7-one
PubChem CID3234207
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name8-cyclopropyl-2-methoxy-6-methylpteridin-7-one
SMILESCOc1ncc2nc(C)c(=O)n(C3CC3)c2n1
InChIInChI=1S/C11H12N4O2/c1-6-10(16)15(7-3-4-7)9-8(13-6)5-12-11(14-9)17-2/h5,7H,3-4H2,1-2H3
InChIKeySAYDZQKTAFAYBQ-UHFFFAOYSA-N
XLogP0.84
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-methoxy-6-methylpteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-methoxy-6-methylpteridin-7-one (CID 3234207) is 8-cyclopropyl-2-methoxy-6-methylpteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-methoxy-6-methylpteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-methoxy-6-methylpteridin-7-one is COc1ncc2nc(C)c(=O)n(C3CC3)c2n1.
What is the InChIKey of 8-cyclopropyl-2-methoxy-6-methylpteridin-7-one?
The InChIKey is SAYDZQKTAFAYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-10(16)15(7-3-4-7)9-8(13-6)5-12-11(14-9)17-2/h5,7H,3-4H2,1-2H3.
What are the key properties of 8-cyclopropyl-2-methoxy-6-methylpteridin-7-one?
8-cyclopropyl-2-methoxy-6-methylpteridin-7-one has a molecular weight of 232.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-methoxy-6-methylpteridin-7-one is sourced from PubChem (CID 3234207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).