5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine

C9H14N4S — CID 80652917

IUPAC5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine
SMILESCC1CSCCN1c1cnc(N)cn1
InChIInChI=1S/C9H14N4S/c1-7-6-14-3-2-13(7)9-5-11-8(10)4-12-9/h4-5,7H,2-3,6H2,1H3,(H2,10,11)
InChIKeyDQRPYHURAYWXHM-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.00
Rot. Bonds1

About 5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine

5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine (PubChem CID 80652917) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine
PubChem CID80652917
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine
SMILESCC1CSCCN1c1cnc(N)cn1
InChIInChI=1S/C9H14N4S/c1-7-6-14-3-2-13(7)9-5-11-8(10)4-12-9/h4-5,7H,2-3,6H2,1H3,(H2,10,11)
InChIKeyDQRPYHURAYWXHM-UHFFFAOYSA-N
XLogP1.00
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine?
The IUPAC name of 5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine (CID 80652917) is 5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine?
The canonical SMILES for 5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine is CC1CSCCN1c1cnc(N)cn1.
What is the InChIKey of 5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine?
The InChIKey is DQRPYHURAYWXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-7-6-14-3-2-13(7)9-5-11-8(10)4-12-9/h4-5,7H,2-3,6H2,1H3,(H2,10,11).
What are the key properties of 5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine?
5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine has a molecular weight of 210.31 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine is sourced from PubChem (CID 80652917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).