6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine

C11H14N4S — CID 80851429

IUPAC6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccsc2)n1
InChIInChI=1S/C11H14N4S/c1-2-4-13-10-6-12-7-11(15-10)14-9-3-5-16-8-9/h3,5-8H,2,4H2,1H3,(H2,13,14,15)
InChIKeyUWUNJWSGYRIHOA-UHFFFAOYSA-N
MW234.33 g/mol
LogP3.10
Rot. Bonds5

About 6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine

6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine (PubChem CID 80851429) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
PubChem CID80851429
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccsc2)n1
InChIInChI=1S/C11H14N4S/c1-2-4-13-10-6-12-7-11(15-10)14-9-3-5-16-8-9/h3,5-8H,2,4H2,1H3,(H2,13,14,15)
InChIKeyUWUNJWSGYRIHOA-UHFFFAOYSA-N
XLogP3.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-N-propyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
CID 80851272
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile
CID 80822691
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80799502
2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565395
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
2-N-(3-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80755290
2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine
CID 80798980
2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 107623581
2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80763352

Frequently Asked Questions

What is the IUPAC name of 6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine?
The IUPAC name of 6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine (CID 80851429) is 6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine.
What is the SMILES notation for 6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine?
The canonical SMILES for 6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine is CCCNc1cncc(Nc2ccsc2)n1.
What is the InChIKey of 6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine?
The InChIKey is UWUNJWSGYRIHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-4-13-10-6-12-7-11(15-10)14-9-3-5-16-8-9/h3,5-8H,2,4H2,1H3,(H2,13,14,15).
What are the key properties of 6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine?
6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine has a molecular weight of 234.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine is sourced from PubChem (CID 80851429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).