methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate

C16H15N5O3 — CID 68775176

IUPACmethyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate
SMILESCCOc1nc(N)nc2ncc(-c3cccc(C(=O)OC)c3)nc12
InChIInChI=1S/C16H15N5O3/c1-3-24-14-12-13(20-16(17)21-14)18-8-11(19-12)9-5-4-6-10(7-9)15(22)23-2/h4-8H,3H2,1-2H3,(H2,17,18,20,21)
InChIKeyIXEWTFUEHJLCOP-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.85
Rot. Bonds4

About methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate

methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate (PubChem CID 68775176) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate
PubChem CID68775176
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Namemethyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate
SMILESCCOc1nc(N)nc2ncc(-c3cccc(C(=O)OC)c3)nc12
InChIInChI=1S/C16H15N5O3/c1-3-24-14-12-13(20-16(17)21-14)18-8-11(19-12)9-5-4-6-10(7-9)15(22)23-2/h4-8H,3H2,1-2H3,(H2,17,18,20,21)
InChIKeyIXEWTFUEHJLCOP-UHFFFAOYSA-N
XLogP1.85
TPSA113.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate?
The IUPAC name of methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate (CID 68775176) is methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate.
What is the SMILES notation for methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate?
The canonical SMILES for methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate is CCOc1nc(N)nc2ncc(-c3cccc(C(=O)OC)c3)nc12.
What is the InChIKey of methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate?
The InChIKey is IXEWTFUEHJLCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-3-24-14-12-13(20-16(17)21-14)18-8-11(19-12)9-5-4-6-10(7-9)15(22)23-2/h4-8H,3H2,1-2H3,(H2,17,18,20,21).
What are the key properties of methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate?
methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate has a molecular weight of 325.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-4-ethoxypteridin-6-yl)benzoate is sourced from PubChem (CID 68775176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).