methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate

C11H16N4O3 — CID 103772184

IUPACmethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NCC(C)(C)C(N)=O)cn1
InChIInChI=1S/C11H16N4O3/c1-11(2,10(12)17)6-15-8-5-13-7(4-14-8)9(16)18-3/h4-5H,6H2,1-3H3,(H2,12,17)(H,14,15)
InChIKeyQLTNRJRGGDZMSL-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.19
Rot. Bonds5

About methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate

methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate (PubChem CID 103772184) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate
PubChem CID103772184
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NCC(C)(C)C(N)=O)cn1
InChIInChI=1S/C11H16N4O3/c1-11(2,10(12)17)6-15-8-5-13-7(4-14-8)9(16)18-3/h4-5H,6H2,1-3H3,(H2,12,17)(H,14,15)
InChIKeyQLTNRJRGGDZMSL-UHFFFAOYSA-N
XLogP0.19
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(5-hydroxy-2,2-dimethylpentyl)amino]pyrazine-2-carboxylate
CID 106148777
methyl 5-(butylamino)pyrazine-2-carboxylate
CID 68565370
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
3-[(4-amino-5-methyl-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106275165
5-amino-2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyridine-4-carboxamide
CID 114167701
methyl 5-[2-[ethyl(propyl)amino]ethylamino]pyrazine-2-carboxylate
CID 114132782
methyl 5-(aminomethyl)pyrazine-2-carboxylate;hydrochloride
CID 67079097
methyl 5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazine-2-carboxylate
CID 114186375
methyl 5-(piperidin-4-ylamino)pyrazine-2-carboxylate;hydrochloride
CID 172829952
methyl 5-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazine-2-carboxylate
CID 114093867
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 103745842
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate (CID 103772184) is methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate is COC(=O)c1cnc(NCC(C)(C)C(N)=O)cn1.
What is the InChIKey of methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate?
The InChIKey is QLTNRJRGGDZMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(2,10(12)17)6-15-8-5-13-7(4-14-8)9(16)18-3/h4-5H,6H2,1-3H3,(H2,12,17)(H,14,15).
What are the key properties of methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate?
methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 103772184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).