4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine

C17H19N5O4 — CID 68777622

IUPAC4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cc(OC)c(OC)c(OC)c3)nc12
InChIInChI=1S/C17H19N5O4/c1-5-26-16-13-15(21-17(18)22-16)19-8-10(20-13)9-6-11(23-2)14(25-4)12(7-9)24-3/h6-8H,5H2,1-4H3,(H2,18,19,21,22)
InChIKeyUJTSZYCGVFUPFV-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.09
Rot. Bonds6

About 4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine

4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine (PubChem CID 68777622) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine
PubChem CID68777622
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cc(OC)c(OC)c(OC)c3)nc12
InChIInChI=1S/C17H19N5O4/c1-5-26-16-13-15(21-17(18)22-16)19-8-10(20-13)9-6-11(23-2)14(25-4)12(7-9)24-3/h6-8H,5H2,1-4H3,(H2,18,19,21,22)
InChIKeyUJTSZYCGVFUPFV-UHFFFAOYSA-N
XLogP2.09
TPSA114.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine?
The IUPAC name of 4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine (CID 68777622) is 4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine is CCOc1nc(N)nc2ncc(-c3cc(OC)c(OC)c(OC)c3)nc12.
What is the InChIKey of 4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine?
The InChIKey is UJTSZYCGVFUPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-5-26-16-13-15(21-17(18)22-16)19-8-10(20-13)9-6-11(23-2)14(25-4)12(7-9)24-3/h6-8H,5H2,1-4H3,(H2,18,19,21,22).
What are the key properties of 4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine?
4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine has a molecular weight of 357.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine is sourced from PubChem (CID 68777622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).