3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine

C19H28N6S — CID 178154439

IUPAC3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine
SMILESCCc1c(N)cccc1Sc1ncc(N2CCC(C)(NC)CC2)nc1N
InChIInChI=1S/C19H28N6S/c1-4-13-14(20)6-5-7-15(13)26-18-17(21)24-16(12-23-18)25-10-8-19(2,22-3)9-11-25/h5-7,12,22H,4,8-11,20H2,1-3H3,(H2,21,24)
InChIKeyUJXLTNSWFUAEHI-UHFFFAOYSA-N
MW372.54 g/mol
LogP2.93
Rot. Bonds5

About 3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine

3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine (PubChem CID 178154439) has the molecular formula C19H28N6S and a molecular weight of 372.54 g/mol. Its IUPAC name is 3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine
PubChem CID178154439
Molecular FormulaC19H28N6S
Molecular Weight372.54 g/mol
Exact Mass372.21
IUPAC Name3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine
SMILESCCc1c(N)cccc1Sc1ncc(N2CCC(C)(NC)CC2)nc1N
InChIInChI=1S/C19H28N6S/c1-4-13-14(20)6-5-7-15(13)26-18-17(21)24-16(12-23-18)25-10-8-19(2,22-3)9-11-25/h5-7,12,22H,4,8-11,20H2,1-3H3,(H2,21,24)
InChIKeyUJXLTNSWFUAEHI-UHFFFAOYSA-N
XLogP2.93
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-2-chlorophenyl)sulfanyl-6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine;2-methylpropane;thiohydroxylamine
CID 144887467
tert-butyl 2-[1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]acetate
CID 161362762
N-[3-[3-amino-5-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-yl]sulfanyl-2-methylphenyl]-3-hydroxy-5-oxo-1-phenyl-2H-pyrrole-4-carboxamide
CID 146614087
6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine
CID 167263224
methyl 3-[3-amino-5-[4-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chlorobenzoate
CID 170088052
3-[4-[4-[[[1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]amino]methyl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 166112401
benzyl N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]carbamate
CID 167297054
4-[3-amino-5-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-1,3,3-trimethylindol-2-one
CID 138585230
6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine
CID 118248952
6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 134401681
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 142433936
(3R,4R)-4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol
CID 139365351

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine?
The IUPAC name of 3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine (CID 178154439) is 3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine is CCc1c(N)cccc1Sc1ncc(N2CCC(C)(NC)CC2)nc1N.
What is the InChIKey of 3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine?
The InChIKey is UJXLTNSWFUAEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6S/c1-4-13-14(20)6-5-7-15(13)26-18-17(21)24-16(12-23-18)25-10-8-19(2,22-3)9-11-25/h5-7,12,22H,4,8-11,20H2,1-3H3,(H2,21,24).
What are the key properties of 3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine?
3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine has a molecular weight of 372.54 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-ethylphenyl)sulfanyl-6-[4-methyl-4-(methylamino)piperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 178154439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).