4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid

C10H12ClN3O3 — CID 114335462

IUPAC4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1cncc(Cl)n1
InChIInChI=1S/C10H12ClN3O3/c1-10(9(15)16)5-17-4-6(10)13-8-3-12-2-7(11)14-8/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyZMKRPIWBTNOYAL-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.03
Rot. Bonds3

About 4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid

4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 114335462) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID114335462
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1Nc1cncc(Cl)n1
InChIInChI=1S/C10H12ClN3O3/c1-10(9(15)16)5-17-4-6(10)13-8-3-12-2-7(11)14-8/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyZMKRPIWBTNOYAL-UHFFFAOYSA-N
XLogP1.03
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-fluoropyrimidin-2-yl)amino]-3-methyloxolane-3-carboxylic acid
CID 104605960
4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
CID 66318064
3-methyl-4-[(5-nitropyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 66248927
3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66250295
4-(4-carbamoyl-2-chloroanilino)-3-methyloxolane-3-carboxylic acid
CID 66249127
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 104785636
3-methyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxolane-3-carboxylic acid
CID 107304381
4-[(3-chlorothiophene-2-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 80644457
4-[(5-fluoropyridine-2-carbonyl)amino]-3-methyloxolane-3-carboxylic acid
CID 104638322
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
3-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]oxolane-3-carboxylic acid
CID 115973140
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methyloxolane-3-carboxylic acid
CID 115321252

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid (CID 114335462) is 4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1Nc1cncc(Cl)n1.
What is the InChIKey of 4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is ZMKRPIWBTNOYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-10(9(15)16)5-17-4-6(10)13-8-3-12-2-7(11)14-8/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 257.68 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyrazin-2-yl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 114335462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).