2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine

C13H16N4S — CID 75377317

IUPAC2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine
SMILESCC1(C)CN(c2ccc3nccnc3n2)CCS1
InChIInChI=1S/C13H16N4S/c1-13(2)9-17(7-8-18-13)11-4-3-10-12(16-11)15-6-5-14-10/h3-6H,7-9H2,1-2H3
InChIKeyANPUZLMITUHZLU-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.36
Rot. Bonds1

About 2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine

2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine (PubChem CID 75377317) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine
PubChem CID75377317
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine
SMILESCC1(C)CN(c2ccc3nccnc3n2)CCS1
InChIInChI=1S/C13H16N4S/c1-13(2)9-17(7-8-18-13)11-4-3-10-12(16-11)15-6-5-14-10/h3-6H,7-9H2,1-2H3
InChIKeyANPUZLMITUHZLU-UHFFFAOYSA-N
XLogP2.36
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine?
The IUPAC name of 2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine (CID 75377317) is 2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine.
What is the SMILES notation for 2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine?
The canonical SMILES for 2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine is CC1(C)CN(c2ccc3nccnc3n2)CCS1.
What is the InChIKey of 2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine?
The InChIKey is ANPUZLMITUHZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-13(2)9-17(7-8-18-13)11-4-3-10-12(16-11)15-6-5-14-10/h3-6H,7-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine?
2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine has a molecular weight of 260.37 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine is sourced from PubChem (CID 75377317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).