5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine

C15H19N3OS — CID 103059724

IUPAC5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CSc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H19N3OS/c1-3-8-16-15-10-17-12(9-18-15)11-20-14-6-4-13(19-2)5-7-14/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,18)
InChIKeyQFFVCITUSFKBRG-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.60
Rot. Bonds7

About 5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine

5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine (PubChem CID 103059724) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
PubChem CID103059724
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CSc2ccc(OC)cc2)cn1
InChIInChI=1S/C15H19N3OS/c1-3-8-16-15-10-17-12(9-18-15)11-20-14-6-4-13(19-2)5-7-14/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,18)
InChIKeyQFFVCITUSFKBRG-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.60
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
6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79239390
5-methoxy-N-propylpyridin-2-amine
CID 106503925
5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059893
N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
CID 103059738
[5-[(3-methoxyphenyl)sulfanylmethyl]pyrazin-2-yl]hydrazine
CID 103062018
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103060195
5-[(2-nitrophenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059897
N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
CID 103060121
[5-(naphthalen-2-ylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062053
5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059413
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine (CID 103059724) is 5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine is CCCNc1cnc(CSc2ccc(OC)cc2)cn1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The InChIKey is QFFVCITUSFKBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-8-16-15-10-17-12(9-18-15)11-20-14-6-4-13(19-2)5-7-14/h4-7,9-10H,3,8,11H2,1-2H3,(H,16,18).
What are the key properties of 5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine?
5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103059724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).