methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate

C14H23N3O2 — CID 66449702

IUPACmethyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-13(2,3)9-14(4,5)17-11-8-15-7-10(16-11)12(18)19-6/h7-8H,9H2,1-6H3,(H,16,17)
InChIKeyJMFIBEQWMYXXSK-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.89
Rot. Bonds4

About methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate

methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate (PubChem CID 66449702) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate
PubChem CID66449702
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-13(2,3)9-14(4,5)17-11-8-15-7-10(16-11)12(18)19-6/h7-8H,9H2,1-6H3,(H,16,17)
InChIKeyJMFIBEQWMYXXSK-UHFFFAOYSA-N
XLogP2.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate (CID 66449702) is methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NC(C)(C)CC(C)(C)C)n1.
What is the InChIKey of methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate?
The InChIKey is JMFIBEQWMYXXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-13(2,3)9-14(4,5)17-11-8-15-7-10(16-11)12(18)19-6/h7-8H,9H2,1-6H3,(H,16,17).
What are the key properties of methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate?
methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,4,4-trimethylpentan-2-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 66449702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).