methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate

C14H23N3O2 — CID 114059734

IUPACmethyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N(CC(C)C)CC(C)C)cn1
InChIInChI=1S/C14H23N3O2/c1-10(2)8-17(9-11(3)4)13-7-15-12(6-16-13)14(18)19-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyNAEQBNOEGXZBJS-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.38
Rot. Bonds6

About methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate

methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate (PubChem CID 114059734) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate
PubChem CID114059734
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N(CC(C)C)CC(C)C)cn1
InChIInChI=1S/C14H23N3O2/c1-10(2)8-17(9-11(3)4)13-7-15-12(6-16-13)14(18)19-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyNAEQBNOEGXZBJS-UHFFFAOYSA-N
XLogP2.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[methyl(4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
CID 114059762
methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114059804
methyl 5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
CID 103772153
methyl 5-(aminomethyl)pyrazine-2-carboxylate;hydrochloride
CID 67079097
methyl 5-amino-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylate
CID 114090067
methyl 6-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboxylate
CID 66449281
N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379342
methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
CID 114093867
methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate
CID 114405986
methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate
CID 104696750
(5-chloropyrazin-2-yl)methanol;methyl 5-chloropyrazine-2-carboxylate
CID 159914654
methyl 5-dimethylphosphorylpyrazine-2-carboxylate
CID 155822317

Frequently Asked Questions

What is the IUPAC name of methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate (CID 114059734) is methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate is COC(=O)c1cnc(N(CC(C)C)CC(C)C)cn1.
What is the InChIKey of methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate?
The InChIKey is NAEQBNOEGXZBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)8-17(9-11(3)4)13-7-15-12(6-16-13)14(18)19-5/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate?
methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[bis(2-methylpropyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 114059734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).