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

C8H9N5O2 — CID 137181704

IUPAC2-amino-6-ethoxy-3H-pteridin-4-one
SMILESCCOc1cnc2nc(N)[nH]c(=O)c2n1
InChIInChI=1S/C8H9N5O2/c1-2-15-4-3-10-6-5(11-4)7(14)13-8(9)12-6/h3H,2H2,1H3,(H3,9,10,12,13,14)
InChIKeyCZWKMOAWIYZJKW-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.31
Rot. Bonds2

About 2-amino-6-ethoxy-3H-pteridin-4-one

2-amino-6-ethoxy-3H-pteridin-4-one (PubChem CID 137181704) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-amino-6-ethoxy-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-ethoxy-3H-pteridin-4-one
PubChem CID137181704
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-amino-6-ethoxy-3H-pteridin-4-one
SMILESCCOc1cnc2nc(N)[nH]c(=O)c2n1
InChIInChI=1S/C8H9N5O2/c1-2-15-4-3-10-6-5(11-4)7(14)13-8(9)12-6/h3H,2H2,1H3,(H3,9,10,12,13,14)
InChIKeyCZWKMOAWIYZJKW-UHFFFAOYSA-N
XLogP-0.31
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-ethoxy-3H-pteridin-4-one (CID 137181704) is 2-amino-6-ethoxy-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-ethoxy-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-ethoxy-3H-pteridin-4-one is CCOc1cnc2nc(N)[nH]c(=O)c2n1.
What is the InChIKey of 2-amino-6-ethoxy-3H-pteridin-4-one?
The InChIKey is CZWKMOAWIYZJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-2-15-4-3-10-6-5(11-4)7(14)13-8(9)12-6/h3H,2H2,1H3,(H3,9,10,12,13,14).
What are the key properties of 2-amino-6-ethoxy-3H-pteridin-4-one?
2-amino-6-ethoxy-3H-pteridin-4-one has a molecular weight of 207.19 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-3H-pteridin-4-one is sourced from PubChem (CID 137181704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).