3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine

C14H17FN4S — CID 126823101

IUPAC3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine
SMILESFc1nccnc1NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C14H17FN4S/c15-13-14(17-6-5-16-13)18-10-11(12-4-3-9-20-12)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8,10H2,(H,17,18)
InChIKeyJMOIRIUSVJNIRI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.93
Rot. Bonds5

About 3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine

3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine (PubChem CID 126823101) has the molecular formula C14H17FN4S and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine
PubChem CID126823101
Molecular FormulaC14H17FN4S
Molecular Weight292.38 g/mol
Exact Mass292.12
IUPAC Name3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine
SMILESFc1nccnc1NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C14H17FN4S/c15-13-14(17-6-5-16-13)18-10-11(12-4-3-9-20-12)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8,10H2,(H,17,18)
InChIKeyJMOIRIUSVJNIRI-UHFFFAOYSA-N
XLogP2.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine?
The IUPAC name of 3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine (CID 126823101) is 3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine.
What is the SMILES notation for 3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine?
The canonical SMILES for 3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine is Fc1nccnc1NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine?
The InChIKey is JMOIRIUSVJNIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4S/c15-13-14(17-6-5-16-13)18-10-11(12-4-3-9-20-12)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8,10H2,(H,17,18).
What are the key properties of 3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine?
3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazin-2-amine is sourced from PubChem (CID 126823101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).