(5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate

C11H15N3O6 — CID 22363959

IUPAC(5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate
SMILESCCOC(=O)Oc1cc(N)c(N)nc1OC(=O)OCC
InChIInChI=1S/C11H15N3O6/c1-3-17-10(15)19-7-5-6(12)8(13)14-9(7)20-11(16)18-4-2/h5H,3-4,12H2,1-2H3,(H2,13,14)
InChIKeyJLGQHFYQLHQXDB-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.32
Rot. Bonds4

About (5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate

(5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate (PubChem CID 22363959) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is (5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate.

Molecular Properties

Compound Name(5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate
PubChem CID22363959
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name(5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate
SMILESCCOC(=O)Oc1cc(N)c(N)nc1OC(=O)OCC
InChIInChI=1S/C11H15N3O6/c1-3-17-10(15)19-7-5-6(12)8(13)14-9(7)20-11(16)18-4-2/h5H,3-4,12H2,1-2H3,(H2,13,14)
InChIKeyJLGQHFYQLHQXDB-UHFFFAOYSA-N
XLogP1.32
TPSA135.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(5-amino-2,3,4-trifluorophenyl) ethyl carbonate
CID 86749657
(5-amino-4-chloro-2-methylphenyl) ethyl carbonate
CID 46856388
(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
CID 70484352
ethyl 5,6-diamino-2-methylpyridine-3-carboxylate
CID 170959467
(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177790
(2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate
CID 22925668
(3-ethoxycarbonyloxy-5,8-dioxonaphthalen-2-yl) ethyl carbonate
CID 70348479
(6-amino-5-chloro-2-methoxy-3-pyridinyl) methyl carbonate
CID 70188905
ethyl 3-(5,6-diamino-2-methyl-3-pyridinyl)prop-2-enoate
CID 169480433
ethyl 3,4-bis(ethoxycarbonyloxy)benzoate
CID 166550194
(4-carboxyoxy-1,2,5-oxadiazol-3-yl) ethyl carbonate
CID 70527253
(6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177802

Frequently Asked Questions

What is the IUPAC name of (5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate?
The IUPAC name of (5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate (CID 22363959) is (5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate.
What is the SMILES notation for (5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate?
The canonical SMILES for (5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate is CCOC(=O)Oc1cc(N)c(N)nc1OC(=O)OCC.
What is the InChIKey of (5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate?
The InChIKey is JLGQHFYQLHQXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-3-17-10(15)19-7-5-6(12)8(13)14-9(7)20-11(16)18-4-2/h5H,3-4,12H2,1-2H3,(H2,13,14).
What are the key properties of (5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate?
(5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate has a molecular weight of 285.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate is sourced from PubChem (CID 22363959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).