methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate

C12H17N3O3 — CID 104696750

IUPACmethyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N(C)CC2CCCO2)cn1
InChIInChI=1S/C12H17N3O3/c1-15(8-9-4-3-5-18-9)11-7-13-10(6-14-11)12(16)17-2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyBXTWVXOAOXEKMH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.88
Rot. Bonds4

About methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate

methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate (PubChem CID 104696750) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate
PubChem CID104696750
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N(C)CC2CCCO2)cn1
InChIInChI=1S/C12H17N3O3/c1-15(8-9-4-3-5-18-9)11-7-13-10(6-14-11)12(16)17-2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyBXTWVXOAOXEKMH-UHFFFAOYSA-N
XLogP0.88
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[methyl(oxolan-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 107372756
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrazin-2-amine
CID 107379575
2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 67287490
methyl 5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
CID 103772153
N-ethyl-5-(methylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374809
6-hydrazinyl-N-methyl-N-(oxolan-2-ylmethyl)pyrazin-2-amine
CID 80896092
N-ethyl-5-(ethylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374808
N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 133271782
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 61362605
6-N-ethyl-2-N-methyl-2-N-(oxolan-2-ylmethyl)pyrazine-2,6-diamine
CID 79771132
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)pyridin-2-amine
CID 55059023
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398

Frequently Asked Questions

What is the IUPAC name of methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate (CID 104696750) is methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate is COC(=O)c1cnc(N(C)CC2CCCO2)cn1.
What is the InChIKey of methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate?
The InChIKey is BXTWVXOAOXEKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(8-9-4-3-5-18-9)11-7-13-10(6-14-11)12(16)17-2/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate?
methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 104696750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).