4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine

C17H19N5O2 — CID 68779202

IUPAC4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(OC(C)C)cc3)nc12
InChIInChI=1S/C17H19N5O2/c1-4-23-16-14-15(21-17(18)22-16)19-9-13(20-14)11-5-7-12(8-6-11)24-10(2)3/h5-10H,4H2,1-3H3,(H2,18,19,21,22)
InChIKeyOVGBIYHUSSUTEO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.85
Rot. Bonds5

About 4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine

4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine (PubChem CID 68779202) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine
PubChem CID68779202
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(OC(C)C)cc3)nc12
InChIInChI=1S/C17H19N5O2/c1-4-23-16-14-15(21-17(18)22-16)19-9-13(20-14)11-5-7-12(8-6-11)24-10(2)3/h5-10H,4H2,1-3H3,(H2,18,19,21,22)
InChIKeyOVGBIYHUSSUTEO-UHFFFAOYSA-N
XLogP2.85
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine (CID 68779202) is 4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine is CCOc1nc(N)nc2ncc(-c3ccc(OC(C)C)cc3)nc12.
What is the InChIKey of 4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine?
The InChIKey is OVGBIYHUSSUTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-23-16-14-15(21-17(18)22-16)19-9-13(20-14)11-5-7-12(8-6-11)24-10(2)3/h5-10H,4H2,1-3H3,(H2,18,19,21,22).
What are the key properties of 4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine?
4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine has a molecular weight of 325.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine is sourced from PubChem (CID 68779202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).