6-ethoxy-3H-pteridin-4-one

C8H8N4O2 — CID 135742612

IUPAC6-ethoxy-3H-pteridin-4-one
SMILESCCOc1cnc2nc[nH]c(=O)c2n1
InChIInChI=1S/C8H8N4O2/c1-2-14-5-3-9-7-6(12-5)8(13)11-4-10-7/h3-4H,2H2,1H3,(H,9,10,11,13)
InChIKeyDJPBBZAAKRTUER-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.11
Rot. Bonds2

About 6-ethoxy-3H-pteridin-4-one

6-ethoxy-3H-pteridin-4-one (PubChem CID 135742612) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 6-ethoxy-3H-pteridin-4-one.

Molecular Properties

Compound Name6-ethoxy-3H-pteridin-4-one
PubChem CID135742612
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name6-ethoxy-3H-pteridin-4-one
SMILESCCOc1cnc2nc[nH]c(=O)c2n1
InChIInChI=1S/C8H8N4O2/c1-2-14-5-3-9-7-6(12-5)8(13)11-4-10-7/h3-4H,2H2,1H3,(H,9,10,11,13)
InChIKeyDJPBBZAAKRTUER-UHFFFAOYSA-N
XLogP0.11
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3H-pteridin-4-one?
The IUPAC name of 6-ethoxy-3H-pteridin-4-one (CID 135742612) is 6-ethoxy-3H-pteridin-4-one.
What is the SMILES notation for 6-ethoxy-3H-pteridin-4-one?
The canonical SMILES for 6-ethoxy-3H-pteridin-4-one is CCOc1cnc2nc[nH]c(=O)c2n1.
What is the InChIKey of 6-ethoxy-3H-pteridin-4-one?
The InChIKey is DJPBBZAAKRTUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-2-14-5-3-9-7-6(12-5)8(13)11-4-10-7/h3-4H,2H2,1H3,(H,9,10,11,13).
What are the key properties of 6-ethoxy-3H-pteridin-4-one?
6-ethoxy-3H-pteridin-4-one has a molecular weight of 192.18 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3H-pteridin-4-one is sourced from PubChem (CID 135742612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).