6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine

C17H19N5O2 — CID 11151514

IUPAC6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCCOc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1
InChIInChI=1S/C17H19N5O2/c1-4-23-12-7-5-11(6-8-12)13-9-19-15-14(20-13)16(24-10(2)3)22-17(18)21-15/h5-10H,4H2,1-3H3,(H2,18,19,21,22)
InChIKeyRHXXFCYAALITQY-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.85
Rot. Bonds5

About 6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine

6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine (PubChem CID 11151514) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine
PubChem CID11151514
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCCOc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1
InChIInChI=1S/C17H19N5O2/c1-4-23-12-7-5-11(6-8-12)13-9-19-15-14(20-13)16(24-10(2)3)22-17(18)21-15/h5-10H,4H2,1-3H3,(H2,18,19,21,22)
InChIKeyRHXXFCYAALITQY-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 6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine (CID 11151514) is 6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine is CCOc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
The InChIKey is RHXXFCYAALITQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-4-23-12-7-5-11(6-8-12)13-9-19-15-14(20-13)16(24-10(2)3)22-17(18)21-15/h5-10H,4H2,1-3H3,(H2,18,19,21,22).
What are the key properties of 6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine?
6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-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 6-(4-ethoxyphenyl)-4-propan-2-yloxypteridin-2-amine is sourced from PubChem (CID 11151514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).