6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine

C15H13N5O3 — CID 68774264

IUPAC6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(C3Oc4ccccc4O3)nc12
InChIInChI=1S/C15H13N5O3/c1-2-21-13-11-12(19-15(16)20-13)17-7-8(18-11)14-22-9-5-3-4-6-10(9)23-14/h3-7,14H,2H2,1H3,(H2,16,17,19,20)
InChIKeyHLJRKBMUHJMURR-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.87
Rot. Bonds3

About 6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine

6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine (PubChem CID 68774264) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine
PubChem CID68774264
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(C3Oc4ccccc4O3)nc12
InChIInChI=1S/C15H13N5O3/c1-2-21-13-11-12(19-15(16)20-13)17-7-8(18-11)14-22-9-5-3-4-6-10(9)23-14/h3-7,14H,2H2,1H3,(H2,16,17,19,20)
InChIKeyHLJRKBMUHJMURR-UHFFFAOYSA-N
XLogP1.87
TPSA105.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine?
The IUPAC name of 6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine (CID 68774264) is 6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine?
The canonical SMILES for 6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine is CCOc1nc(N)nc2ncc(C3Oc4ccccc4O3)nc12.
What is the InChIKey of 6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine?
The InChIKey is HLJRKBMUHJMURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-2-21-13-11-12(19-15(16)20-13)17-7-8(18-11)14-22-9-5-3-4-6-10(9)23-14/h3-7,14H,2H2,1H3,(H2,16,17,19,20).
What are the key properties of 6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine?
6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine has a molecular weight of 311.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-2-yl)-4-ethoxypteridin-2-amine is sourced from PubChem (CID 68774264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).