methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate

C13H21N3O2 — CID 66456931

IUPACmethyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate
SMILESCCC(C)CC(C)Nc1cncc(C(=O)OC)n1
InChIInChI=1S/C13H21N3O2/c1-5-9(2)6-10(3)15-12-8-14-7-11(16-12)13(17)18-4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKeyHLSAZJJKUMYLTJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.50
Rot. Bonds6

About methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate

methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate (PubChem CID 66456931) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate
PubChem CID66456931
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate
SMILESCCC(C)CC(C)Nc1cncc(C(=O)OC)n1
InChIInChI=1S/C13H21N3O2/c1-5-9(2)6-10(3)15-12-8-14-7-11(16-12)13(17)18-4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKeyHLSAZJJKUMYLTJ-UHFFFAOYSA-N
XLogP2.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carboxylate
CID 104828596
methyl 6-(4-phenylbutan-2-ylamino)pyrazine-2-carboxylate
CID 66456714
2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
CID 66454589
methyl 6-(1-methoxypentan-2-ylamino)pyrazine-2-carboxylate
CID 66458303
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
methyl 6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyrazine-2-carboxylate
CID 106350395
methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66457684
5-[(6-methoxycarbonylpyrazin-2-yl)amino]-4-methylpentanoic acid
CID 82017322
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
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate (CID 66456931) is methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate is CCC(C)CC(C)Nc1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate?
The InChIKey is HLSAZJJKUMYLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-9(2)6-10(3)15-12-8-14-7-11(16-12)13(17)18-4/h7-10H,5-6H2,1-4H3,(H,15,16).
What are the key properties of methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate?
methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methylhexan-2-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 66456931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).