2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate

C11H17N3O3 — CID 10889995

IUPAC2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
SMILESCOc1nc(C)cnc1NC(=O)OCC(C)C
InChIInChI=1S/C11H17N3O3/c1-7(2)6-17-11(15)14-9-10(16-4)13-8(3)5-12-9/h5,7H,6H2,1-4H3,(H,12,14,15)
InChIKeyJRIUSNXEAMPSCD-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.00
Rot. Bonds4

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

2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate (PubChem CID 10889995) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
PubChem CID10889995
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
SMILESCOc1nc(C)cnc1NC(=O)OCC(C)C
InChIInChI=1S/C11H17N3O3/c1-7(2)6-17-11(15)14-9-10(16-4)13-8(3)5-12-9/h5,7H,6H2,1-4H3,(H,12,14,15)
InChIKeyJRIUSNXEAMPSCD-UHFFFAOYSA-N
XLogP2.00
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate (CID 10889995) is 2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate is COc1nc(C)cnc1NC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The InChIKey is JRIUSNXEAMPSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)6-17-11(15)14-9-10(16-4)13-8(3)5-12-9/h5,7H,6H2,1-4H3,(H,12,14,15).
What are the key properties of 2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate has a molecular weight of 239.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate is sourced from PubChem (CID 10889995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).