tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate

C17H20N6O3 — CID 24795048

IUPACtert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate
SMILESCCOc1nc(N)nc2ncc(-c3cccn3C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C17H20N6O3/c1-5-25-14-12-13(21-15(18)22-14)19-9-10(20-12)11-7-6-8-23(11)16(24)26-17(2,3)4/h6-9H,5H2,1-4H3,(H2,18,19,21,22)
InChIKeyUHFFOGCEDDRBKV-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate

tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate (PubChem CID 24795048) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate
PubChem CID24795048
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Nametert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate
SMILESCCOc1nc(N)nc2ncc(-c3cccn3C(=O)OC(C)(C)C)nc12
InChIInChI=1S/C17H20N6O3/c1-5-25-14-12-13(21-15(18)22-14)19-9-10(20-12)11-7-6-8-23(11)16(24)26-17(2,3)4/h6-9H,5H2,1-4H3,(H2,18,19,21,22)
InChIKeyUHFFOGCEDDRBKV-UHFFFAOYSA-N
XLogP2.65
TPSA118.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate (CID 24795048) is tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate is CCOc1nc(N)nc2ncc(-c3cccn3C(=O)OC(C)(C)C)nc12.
What is the InChIKey of tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate?
The InChIKey is UHFFOGCEDDRBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-5-25-14-12-13(21-15(18)22-14)19-9-10(20-12)11-7-6-8-23(11)16(24)26-17(2,3)4/h6-9H,5H2,1-4H3,(H2,18,19,21,22).
What are the key properties of tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate?
tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate has a molecular weight of 356.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-amino-4-ethoxypteridin-6-yl)pyrrole-1-carboxylate is sourced from PubChem (CID 24795048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).