3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid

C10H15ClN4O2 — CID 45255988

IUPAC3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)CN(C)c1nc(N)c(C(=O)O)nc1Cl
InChIInChI=1S/C10H15ClN4O2/c1-5(2)4-15(3)9-7(11)13-6(10(16)17)8(12)14-9/h5H,4H2,1-3H3,(H2,12,14)(H,16,17)
InChIKeyCGHRJBDFEVYCDM-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.50
Rot. Bonds4

About 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid

3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid (PubChem CID 45255988) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid
PubChem CID45255988
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid
SMILESCC(C)CN(C)c1nc(N)c(C(=O)O)nc1Cl
InChIInChI=1S/C10H15ClN4O2/c1-5(2)4-15(3)9-7(11)13-6(10(16)17)8(12)14-9/h5H,4H2,1-3H3,(H2,12,14)(H,16,17)
InChIKeyCGHRJBDFEVYCDM-UHFFFAOYSA-N
XLogP1.50
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid (CID 45255988) is 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid is CC(C)CN(C)c1nc(N)c(C(=O)O)nc1Cl.
What is the InChIKey of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is CGHRJBDFEVYCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-5(2)4-15(3)9-7(11)13-6(10(16)17)8(12)14-9/h5H,4H2,1-3H3,(H2,12,14)(H,16,17).
What are the key properties of 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid?
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 258.71 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 45255988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).