4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine

C16H17N5O2 — CID 68775587

IUPAC4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine
SMILESCCOc1cccc(-c2cnc3nc(N)nc(OCC)c3n2)c1
InChIInChI=1S/C16H17N5O2/c1-3-22-11-7-5-6-10(8-11)12-9-18-14-13(19-12)15(23-4-2)21-16(17)20-14/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21)
InChIKeyMVPIEXZQOZNQGE-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.47
Rot. Bonds5

About 4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine

4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine (PubChem CID 68775587) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine
PubChem CID68775587
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine
SMILESCCOc1cccc(-c2cnc3nc(N)nc(OCC)c3n2)c1
InChIInChI=1S/C16H17N5O2/c1-3-22-11-7-5-6-10(8-11)12-9-18-14-13(19-12)15(23-4-2)21-16(17)20-14/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21)
InChIKeyMVPIEXZQOZNQGE-UHFFFAOYSA-N
XLogP2.47
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine?
The IUPAC name of 4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine (CID 68775587) is 4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine is CCOc1cccc(-c2cnc3nc(N)nc(OCC)c3n2)c1.
What is the InChIKey of 4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine?
The InChIKey is MVPIEXZQOZNQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-22-11-7-5-6-10(8-11)12-9-18-14-13(19-12)15(23-4-2)21-16(17)20-14/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine?
4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine has a molecular weight of 311.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(3-ethoxyphenyl)pteridin-2-amine is sourced from PubChem (CID 68775587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).