tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate

C12H21N3O2 — CID 69412026

IUPACtert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate
SMILESCCNC1=CC=CC(N)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-5-14-10-8-6-7-9(13)15(10)11(16)17-12(2,3)4/h6-9,14H,5,13H2,1-4H3
InChIKeyLUNDMQOEWJNJLQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.53
Rot. Bonds2

About tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate

tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate (PubChem CID 69412026) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate
PubChem CID69412026
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nametert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate
SMILESCCNC1=CC=CC(N)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-5-14-10-8-6-7-9(13)15(10)11(16)17-12(2,3)4/h6-9,14H,5,13H2,1-4H3
InChIKeyLUNDMQOEWJNJLQ-UHFFFAOYSA-N
XLogP1.53
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate (CID 69412026) is tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate is CCNC1=CC=CC(N)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate?
The InChIKey is LUNDMQOEWJNJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-14-10-8-6-7-9(13)15(10)11(16)17-12(2,3)4/h6-9,14H,5,13H2,1-4H3.
What are the key properties of tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate?
tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate has a molecular weight of 239.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-6-(ethylamino)-2H-pyridine-1-carboxylate is sourced from PubChem (CID 69412026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).