propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate

C9H13N3O2 — CID 133057217

IUPACpropan-2-yl 5-amino-6-methylpyrazine-2-carboxylate
SMILESCc1nc(C(=O)OC(C)C)cnc1N
InChIInChI=1S/C9H13N3O2/c1-5(2)14-9(13)7-4-11-8(10)6(3)12-7/h4-5H,1-3H3,(H2,10,11)
InChIKeyZFGSFLMVLNUDRP-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.93
Rot. Bonds2

About propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate

propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate (PubChem CID 133057217) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-amino-6-methylpyrazine-2-carboxylate
PubChem CID133057217
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namepropan-2-yl 5-amino-6-methylpyrazine-2-carboxylate
SMILESCc1nc(C(=O)OC(C)C)cnc1N
InChIInChI=1S/C9H13N3O2/c1-5(2)14-9(13)7-4-11-8(10)6(3)12-7/h4-5H,1-3H3,(H2,10,11)
InChIKeyZFGSFLMVLNUDRP-UHFFFAOYSA-N
XLogP0.93
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propan-2-yloxycarbonylpyrazine-2-carboxylic acid
CID 117212967
propan-2-yl 6-chloropyrazine-2-carboxylate
CID 106547521
propan-2-yl 2-amino-5-chloropyridine-3-carboxylate
CID 133055462
propan-2-yl pyrazine-2-carboxylate
CID 3022328
3-methyl-5-propan-2-ylpyrazin-2-amine
CID 123964428
propan-2-yl 7-methylisoquinoline-3-carboxylate
CID 133054385
propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate
CID 133059260
propan-2-yl 4-methylpyrimidine-2-carboxylate
CID 130832729
(5-amino-6-methylpyrazin-2-yl)boronic acid
CID 167351042
propan-2-yl 5-amino-1-methylpyrazole-4-carboxylate
CID 52911784
propan-2-yl 2H-triazole-4-carboxylate
CID 12998526
propan-2-yl 7-hydroxyisoquinoline-3-carboxylate
CID 133060554

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate?
The IUPAC name of propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate (CID 133057217) is propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate?
The canonical SMILES for propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate is Cc1nc(C(=O)OC(C)C)cnc1N.
What is the InChIKey of propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate?
The InChIKey is ZFGSFLMVLNUDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(2)14-9(13)7-4-11-8(10)6(3)12-7/h4-5H,1-3H3,(H2,10,11).
What are the key properties of propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate?
propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-amino-6-methylpyrazine-2-carboxylate is sourced from PubChem (CID 133057217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).