1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine

C12H14N4S — CID 63380473

IUPAC1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine
SMILESCC(N)C(Sc1cnccn1)c1ccncc1
InChIInChI=1S/C12H14N4S/c1-9(13)12(10-2-4-14-5-3-10)17-11-8-15-6-7-16-11/h2-9,12H,13H2,1H3
InChIKeyLLRPSSHJTUXRCH-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.05
Rot. Bonds4

About 1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine

1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine (PubChem CID 63380473) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine
PubChem CID63380473
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine
SMILESCC(N)C(Sc1cnccn1)c1ccncc1
InChIInChI=1S/C12H14N4S/c1-9(13)12(10-2-4-14-5-3-10)17-11-8-15-6-7-16-11/h2-9,12H,13H2,1H3
InChIKeyLLRPSSHJTUXRCH-UHFFFAOYSA-N
XLogP2.05
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylthiophen-2-yl)-1-pyrazin-2-ylsulfanylpropan-2-amine
CID 55248128
1-(4-chlorophenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380794
3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine
CID 64625617
1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
CID 64627830
1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine
CID 55014840
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943753
1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380747
3-pyrazin-2-ylsulfanylbutan-1-ol
CID 66138101
3-(2-amino-1-pyridin-4-ylpropyl)sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 62898443
1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine
CID 55232465
(1S)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943756
(1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943750

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine?
The IUPAC name of 1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine (CID 63380473) is 1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine.
What is the SMILES notation for 1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine?
The canonical SMILES for 1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine is CC(N)C(Sc1cnccn1)c1ccncc1.
What is the InChIKey of 1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine?
The InChIKey is LLRPSSHJTUXRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-9(13)12(10-2-4-14-5-3-10)17-11-8-15-6-7-16-11/h2-9,12H,13H2,1H3.
What are the key properties of 1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine?
1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine has a molecular weight of 246.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine is sourced from PubChem (CID 63380473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).