methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate

C13H21N3O3 — CID 106350395

IUPACmethyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(CCO)C(C)(C)C)n1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)10(5-6-17)16-11-8-14-7-9(15-11)12(18)19-4/h7-8,10,17H,5-6H2,1-4H3,(H,15,16)
InChIKeyGJLRTXAIECPUDZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.47
Rot. Bonds5

About methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate

methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate (PubChem CID 106350395) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate
PubChem CID106350395
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(CCO)C(C)(C)C)n1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)10(5-6-17)16-11-8-14-7-9(15-11)12(18)19-4/h7-8,10,17H,5-6H2,1-4H3,(H,15,16)
InChIKeyGJLRTXAIECPUDZ-UHFFFAOYSA-N
XLogP1.47
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate
CID 104828596
2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
CID 66454589
methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate
CID 66449702
methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
CID 66458303
methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate
CID 66456931
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291
methyl 6-(4-phenylbutan-2-ylamino)pyrazine-2-carboxylate
CID 66456714
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylate
CID 66457721
5-[(6-methoxycarbonylpyrazin-2-yl)amino]-4-methylpentanoic acid
CID 82017322
methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
CID 114159121
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate
CID 115455097

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate (CID 106350395) is methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC(CCO)C(C)(C)C)n1.
What is the InChIKey of methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate?
The InChIKey is GJLRTXAIECPUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,3)10(5-6-17)16-11-8-14-7-9(15-11)12(18)19-4/h7-8,10,17H,5-6H2,1-4H3,(H,15,16).
What are the key properties of methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate?
methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 106350395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).