8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one

C17H16N4O3 — CID 3233795

IUPAC8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(C)c(=O)n(C4CC4)c3n2)cc1
InChIInChI=1S/C17H16N4O3/c1-10-16(22)21(11-3-4-11)15-14(19-10)9-18-17(20-15)24-13-7-5-12(23-2)6-8-13/h5-9,11H,3-4H2,1-2H3
InChIKeyFHFMSPHMWJIMDZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.63
Rot. Bonds4

About 8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one

8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one (PubChem CID 3233795) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one
PubChem CID3233795
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(C)c(=O)n(C4CC4)c3n2)cc1
InChIInChI=1S/C17H16N4O3/c1-10-16(22)21(11-3-4-11)15-14(19-10)9-18-17(20-15)24-13-7-5-12(23-2)6-8-13/h5-9,11H,3-4H2,1-2H3
InChIKeyFHFMSPHMWJIMDZ-UHFFFAOYSA-N
XLogP2.63
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one (CID 3233795) is 8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one is COc1ccc(Oc2ncc3nc(C)c(=O)n(C4CC4)c3n2)cc1.
What is the InChIKey of 8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one?
The InChIKey is FHFMSPHMWJIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-16(22)21(11-3-4-11)15-14(19-10)9-18-17(20-15)24-13-7-5-12(23-2)6-8-13/h5-9,11H,3-4H2,1-2H3.
What are the key properties of 8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one?
8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one has a molecular weight of 324.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one is sourced from PubChem (CID 3233795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).