N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine

C13H16N4S — CID 103059738

IUPACN-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
SMILESCCCNc1cnc(CSc2ccccn2)cn1
InChIInChI=1S/C13H16N4S/c1-2-6-14-12-9-16-11(8-17-12)10-18-13-5-3-4-7-15-13/h3-5,7-9H,2,6,10H2,1H3,(H,14,17)
InChIKeyMAOQOPUFWZCKTM-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.99
Rot. Bonds6

About N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine

N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine (PubChem CID 103059738) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
PubChem CID103059738
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC NameN-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
SMILESCCCNc1cnc(CSc2ccccn2)cn1
InChIInChI=1S/C13H16N4S/c1-2-6-14-12-9-16-11(8-17-12)10-18-13-5-3-4-7-15-13/h3-5,7-9H,2,6,10H2,1H3,(H,14,17)
InChIKeyMAOQOPUFWZCKTM-UHFFFAOYSA-N
XLogP2.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059685
5-[(2-nitrophenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059897
5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
CID 103059734
5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059724
5-[[ethyl(pyridin-2-ylmethyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103056698
N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
CID 103060121
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103060195
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine
CID 79239819
N-propyl-5-(pyrimidin-2-ylsulfanylmethyl)pyridin-2-amine
CID 62189823
2-nitro-N-propyl-4-(pyridin-2-ylsulfanylmethyl)aniline
CID 62190159

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine?
The IUPAC name of N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine (CID 103059738) is N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine.
What is the SMILES notation for N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine?
The canonical SMILES for N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine is CCCNc1cnc(CSc2ccccn2)cn1.
What is the InChIKey of N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine?
The InChIKey is MAOQOPUFWZCKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-2-6-14-12-9-16-11(8-17-12)10-18-13-5-3-4-7-15-13/h3-5,7-9H,2,6,10H2,1H3,(H,14,17).
What are the key properties of N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine?
N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine has a molecular weight of 260.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine is sourced from PubChem (CID 103059738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).