tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate

C12H19N3O3 — CID 145226856

IUPACtert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
SMILESCCc1ncc(NC(=O)OC(C)(C)C)nc1OC
InChIInChI=1S/C12H19N3O3/c1-6-8-10(17-5)14-9(7-13-8)15-11(16)18-12(2,3)4/h7H,6H2,1-5H3,(H,14,15,16)
InChIKeyPFUNXUQXZQBAMC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.39
Rot. Bonds3

About tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate

tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate (PubChem CID 145226856) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
PubChem CID145226856
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nametert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
SMILESCCc1ncc(NC(=O)OC(C)(C)C)nc1OC
InChIInChI=1S/C12H19N3O3/c1-6-8-10(17-5)14-9(7-13-8)15-11(16)18-12(2,3)4/h7H,6H2,1-5H3,(H,14,15,16)
InChIKeyPFUNXUQXZQBAMC-UHFFFAOYSA-N
XLogP2.39
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754
methyl 6-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142743369
tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875
tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate
CID 18926411
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 167738680
tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate
CID 118045562
2-[3-bromo-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetic acid
CID 68842909
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
tert-butyl N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)carbamate
CID 123540990

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate (CID 145226856) is tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate is CCc1ncc(NC(=O)OC(C)(C)C)nc1OC.
What is the InChIKey of tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate?
The InChIKey is PFUNXUQXZQBAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6-8-10(17-5)14-9(7-13-8)15-11(16)18-12(2,3)4/h7H,6H2,1-5H3,(H,14,15,16).
What are the key properties of tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate?
tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate has a molecular weight of 253.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate is sourced from PubChem (CID 145226856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).