7-(4-methoxyphenyl)-1H-pteridine-2,4-dione

C13H10N4O3 — CID 5409710

IUPAC7-(4-methoxyphenyl)-1H-pteridine-2,4-dione
SMILESCOc1ccc(-c2cnc3c(=O)[nH]c(=O)[nH]c3n2)cc1
InChIInChI=1S/C13H10N4O3/c1-20-8-4-2-7(3-5-8)9-6-14-10-11(15-9)16-13(19)17-12(10)18/h2-6H,1H3,(H2,15,16,17,18,19)
InChIKeyLQVUFGDEIPMWPT-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.68
Rot. Bonds2

About 7-(4-methoxyphenyl)-1H-pteridine-2,4-dione

7-(4-methoxyphenyl)-1H-pteridine-2,4-dione (PubChem CID 5409710) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-1H-pteridine-2,4-dione
PubChem CID5409710
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name7-(4-methoxyphenyl)-1H-pteridine-2,4-dione
SMILESCOc1ccc(-c2cnc3c(=O)[nH]c(=O)[nH]c3n2)cc1
InChIInChI=1S/C13H10N4O3/c1-20-8-4-2-7(3-5-8)9-6-14-10-11(15-9)16-13(19)17-12(10)18/h2-6H,1H3,(H2,15,16,17,18,19)
InChIKeyLQVUFGDEIPMWPT-UHFFFAOYSA-N
XLogP0.68
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-1H-pteridine-2,4-dione?
The IUPAC name of 7-(4-methoxyphenyl)-1H-pteridine-2,4-dione (CID 5409710) is 7-(4-methoxyphenyl)-1H-pteridine-2,4-dione.
What is the SMILES notation for 7-(4-methoxyphenyl)-1H-pteridine-2,4-dione?
The canonical SMILES for 7-(4-methoxyphenyl)-1H-pteridine-2,4-dione is COc1ccc(-c2cnc3c(=O)[nH]c(=O)[nH]c3n2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-1H-pteridine-2,4-dione?
The InChIKey is LQVUFGDEIPMWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-20-8-4-2-7(3-5-8)9-6-14-10-11(15-9)16-13(19)17-12(10)18/h2-6H,1H3,(H2,15,16,17,18,19).
What are the key properties of 7-(4-methoxyphenyl)-1H-pteridine-2,4-dione?
7-(4-methoxyphenyl)-1H-pteridine-2,4-dione has a molecular weight of 270.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-1H-pteridine-2,4-dione is sourced from PubChem (CID 5409710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).