tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate

C12H19N3O3 — CID 158245636

IUPACtert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate
SMILESCOc1nc(CC(=O)OC(C)(C)C)cnc1CN
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-10(16)5-8-7-14-9(6-13)11(15-8)17-4/h7H,5-6,13H2,1-4H3
InChIKeyMXZJUBIOJBDRTH-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.83
Rot. Bonds4

About tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate

tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate (PubChem CID 158245636) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate
PubChem CID158245636
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nametert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate
SMILESCOc1nc(CC(=O)OC(C)(C)C)cnc1CN
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-10(16)5-8-7-14-9(6-13)11(15-8)17-4/h7H,5-6,13H2,1-4H3
InChIKeyMXZJUBIOJBDRTH-UHFFFAOYSA-N
XLogP0.83
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-(3,5-dibromo-2-pyridinyl)acetate
CID 133061246
tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
CID 145226856
tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 133060482
tert-butyl 2-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 166159837
tert-butyl N-[6-(2-hydroxyethyl)-3-methoxypyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 170329086
tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
CID 133062944
tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate
CID 121231620
tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate
CID 133058846
tert-butyl 2-(6-amino-4-ethyl-3-pyridinyl)acetate
CID 131734298
tert-butyl 2-(3-cyano-6-methylpyrazin-2-yl)acetate
CID 170699897
tert-butyl 2-(5-formylpyridazin-3-yl)acetate
CID 163497865
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
CID 71758654

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate?
The IUPAC name of tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate (CID 158245636) is tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate?
The canonical SMILES for tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate is COc1nc(CC(=O)OC(C)(C)C)cnc1CN.
What is the InChIKey of tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate?
The InChIKey is MXZJUBIOJBDRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)18-10(16)5-8-7-14-9(6-13)11(15-8)17-4/h7H,5-6,13H2,1-4H3.
What are the key properties of tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate?
tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate has a molecular weight of 253.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-(aminomethyl)-6-methoxypyrazin-2-yl]acetate is sourced from PubChem (CID 158245636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).