6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine

C22H25N5OS — CID 133389888

IUPAC6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine
SMILESCC1CN(c2cc(CNc3cncc(SCc4ccccc4)n3)ccn2)CCO1
InChIInChI=1S/C22H25N5OS/c1-17-15-27(9-10-28-17)21-11-19(7-8-24-21)12-25-20-13-23-14-22(26-20)29-16-18-5-3-2-4-6-18/h2-8,11,13-14,17H,9-10,12,15-16H2,1H3,(H,25,26)
InChIKeyLQBBWRGYIIFNCO-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.00
Rot. Bonds7

About 6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine

6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine (PubChem CID 133389888) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine
PubChem CID133389888
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine
SMILESCC1CN(c2cc(CNc3cncc(SCc4ccccc4)n3)ccn2)CCO1
InChIInChI=1S/C22H25N5OS/c1-17-15-27(9-10-28-17)21-11-19(7-8-24-21)12-25-20-13-23-14-22(26-20)29-16-18-5-3-2-4-6-18/h2-8,11,13-14,17H,9-10,12,15-16H2,1H3,(H,25,26)
InChIKeyLQBBWRGYIIFNCO-UHFFFAOYSA-N
XLogP4.00
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine with MolForge

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Related Compounds

N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyridin-2-amine
CID 75423987
4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133389617
1-[2-[(2S)-2-methylmorpholin-4-yl]-4-pyridinyl]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)methanamine
CID 97220278
4-(6-benzylsulfanylpyrazin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133389470
2-methyl-1-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111980776
N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]oxolane-3-sulfonamide
CID 166220669
6-benzylsulfanyl-N-(cyclopropylmethyl)pyrazin-2-amine
CID 133389133
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111964100
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111964623
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111964479
1-ethyl-2-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-(3-phenylpropyl)guanidine
CID 111964411
1-cyclopentyl-2-methyl-3-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]guanidine
CID 111964017

Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine?
The IUPAC name of 6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine (CID 133389888) is 6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine.
What is the SMILES notation for 6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine?
The canonical SMILES for 6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine is CC1CN(c2cc(CNc3cncc(SCc4ccccc4)n3)ccn2)CCO1.
What is the InChIKey of 6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine?
The InChIKey is LQBBWRGYIIFNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-17-15-27(9-10-28-17)21-11-19(7-8-24-21)12-25-20-13-23-14-22(26-20)29-16-18-5-3-2-4-6-18/h2-8,11,13-14,17H,9-10,12,15-16H2,1H3,(H,25,26).
What are the key properties of 6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine?
6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine has a molecular weight of 407.54 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 133389888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).