methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate

C12H19N3O2 — CID 104828596

IUPACmethyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-8(12(2,3)4)14-10-7-13-6-9(15-10)11(16)17-5/h6-8H,1-5H3,(H,14,15)
InChIKeyYFQIXMRAMCKPNV-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.11
Rot. Bonds3

About methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate

methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate (PubChem CID 104828596) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate
PubChem CID104828596
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(C)C(C)(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-8(12(2,3)4)14-10-7-13-6-9(15-10)11(16)17-5/h6-8H,1-5H3,(H,14,15)
InChIKeyYFQIXMRAMCKPNV-UHFFFAOYSA-N
XLogP2.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate
CID 106350395
methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate
CID 66456931
methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
CID 114159121
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291
2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
CID 66454589
methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66457684
methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate
CID 66449702
methyl 6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carboxylate
CID 66455747
methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66456508
methyl 6-(4-phenylbutan-2-ylamino)pyrazine-2-carboxylate
CID 66456714
methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
CID 66458303
methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate
CID 113457844

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate (CID 104828596) is methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NC(C)C(C)(C)C)n1.
What is the InChIKey of methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate?
The InChIKey is YFQIXMRAMCKPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(12(2,3)4)14-10-7-13-6-9(15-10)11(16)17-5/h6-8H,1-5H3,(H,14,15).
What are the key properties of methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate?
methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 104828596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).