methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate

C11H17N3O3 — CID 66456064

IUPACmethyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
SMILESCOCC(C)N(C)c1cncc(C(=O)OC)n1
InChIInChI=1S/C11H17N3O3/c1-8(7-16-3)14(2)10-6-12-5-9(13-10)11(15)17-4/h5-6,8H,7H2,1-4H3
InChIKeyMNGVZIWLJQCQKQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.73
Rot. Bonds5

About methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate

methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate (PubChem CID 66456064) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
PubChem CID66456064
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
SMILESCOCC(C)N(C)c1cncc(C(=O)OC)n1
InChIInChI=1S/C11H17N3O3/c1-8(7-16-3)14(2)10-6-12-5-9(13-10)11(15)17-4/h5-6,8H,7H2,1-4H3
InChIKeyMNGVZIWLJQCQKQ-UHFFFAOYSA-N
XLogP0.73
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate
CID 66458598
methyl 6-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboxylate
CID 66449281
methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
CID 66456232
methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
CID 66456426
6-[(tert-butylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methylpyrazin-2-amine
CID 66456847
methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114900602
methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
CID 79390457
methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate
CID 79858166
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
CID 66456879
methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate
CID 102994007
methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
CID 66458303
ethyl 6-(dimethylamino)pyrazine-2-carboxylate
CID 23273864

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate (CID 66456064) is methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate is COCC(C)N(C)c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate?
The InChIKey is MNGVZIWLJQCQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(7-16-3)14(2)10-6-12-5-9(13-10)11(15)17-4/h5-6,8H,7H2,1-4H3.
What are the key properties of methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate?
methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66456064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).