tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate

C11H17N3O3 — CID 141287875

IUPACtert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
SMILESCOc1nc(C)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17N3O3/c1-7-6-12-8(9(13-7)16-5)14-10(15)17-11(2,3)4/h6H,1-5H3,(H,12,14,15)
InChIKeyCGUWCSHIKZMSBB-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.14
Rot. Bonds2

About tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate

tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate (PubChem CID 141287875) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
PubChem CID141287875
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nametert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
SMILESCOc1nc(C)cnc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H17N3O3/c1-7-6-12-8(9(13-7)16-5)14-10(15)17-11(2,3)4/h6H,1-5H3,(H,12,14,15)
InChIKeyCGUWCSHIKZMSBB-UHFFFAOYSA-N
XLogP2.14
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)carbamate
CID 118956788
[5-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]boronic acid
CID 123134912
methyl 5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 142212585
4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylic acid
CID 167738680
tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
CID 145226856
tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
CID 66820532
tert-butyl N-(3-methyl-5-pyrimidin-5-ylpyrazin-2-yl)carbamate
CID 138494591
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(5-bromo-6-methoxy-3-pyridinyl)carbamate
CID 73010774
ethyl 3-[2-methoxy-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 169148889
methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 178148126
tert-butyl N-(5-bromo-6-methoxy-2-pyridinyl)carbamate
CID 156516754

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate (CID 141287875) is tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate is COc1nc(C)cnc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The InChIKey is CGUWCSHIKZMSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-6-12-8(9(13-7)16-5)14-10(15)17-11(2,3)4/h6H,1-5H3,(H,12,14,15).
What are the key properties of tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate has a molecular weight of 239.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate is sourced from PubChem (CID 141287875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).