6-(4-methoxyphenyl)-3H-pteridin-4-one

C13H10N4O2 — CID 135473443

IUPAC6-(4-methoxyphenyl)-3H-pteridin-4-one
SMILESCOc1ccc(-c2cnc3nc[nH]c(=O)c3n2)cc1
InChIInChI=1S/C13H10N4O2/c1-19-9-4-2-8(3-5-9)10-6-14-12-11(17-10)13(18)16-7-15-12/h2-7H,1H3,(H,14,15,16,18)
InChIKeyXBLJKEBOGZCRSS-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.39
Rot. Bonds2

About 6-(4-methoxyphenyl)-3H-pteridin-4-one

6-(4-methoxyphenyl)-3H-pteridin-4-one (PubChem CID 135473443) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3H-pteridin-4-one
PubChem CID135473443
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name6-(4-methoxyphenyl)-3H-pteridin-4-one
SMILESCOc1ccc(-c2cnc3nc[nH]c(=O)c3n2)cc1
InChIInChI=1S/C13H10N4O2/c1-19-9-4-2-8(3-5-9)10-6-14-12-11(17-10)13(18)16-7-15-12/h2-7H,1H3,(H,14,15,16,18)
InChIKeyXBLJKEBOGZCRSS-UHFFFAOYSA-N
XLogP1.39
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3H-pteridin-4-one?
The IUPAC name of 6-(4-methoxyphenyl)-3H-pteridin-4-one (CID 135473443) is 6-(4-methoxyphenyl)-3H-pteridin-4-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3H-pteridin-4-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3H-pteridin-4-one is COc1ccc(-c2cnc3nc[nH]c(=O)c3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3H-pteridin-4-one?
The InChIKey is XBLJKEBOGZCRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-19-9-4-2-8(3-5-9)10-6-14-12-11(17-10)13(18)16-7-15-12/h2-7H,1H3,(H,14,15,16,18).
What are the key properties of 6-(4-methoxyphenyl)-3H-pteridin-4-one?
6-(4-methoxyphenyl)-3H-pteridin-4-one has a molecular weight of 254.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3H-pteridin-4-one is sourced from PubChem (CID 135473443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).