N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine

C13H24N4S — CID 103056808

IUPACN-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine
SMILESCCNc1cnc(CN(C)C(CC)CSC)cn1
InChIInChI=1S/C13H24N4S/c1-5-12(10-18-4)17(3)9-11-7-16-13(8-15-11)14-6-2/h7-8,12H,5-6,9-10H2,1-4H3,(H,14,16)
InChIKeyZXJQUDJAEFUDPM-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.48
Rot. Bonds8

About N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine

N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine (PubChem CID 103056808) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine
PubChem CID103056808
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine
SMILESCCNc1cnc(CN(C)C(CC)CSC)cn1
InChIInChI=1S/C13H24N4S/c1-5-12(10-18-4)17(3)9-11-7-16-13(8-15-11)14-6-2/h7-8,12H,5-6,9-10H2,1-4H3,(H,14,16)
InChIKeyZXJQUDJAEFUDPM-UHFFFAOYSA-N
XLogP2.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyrazin-2-amine
CID 103056804
N-ethyl-5-[[ethyl(methyl)amino]methyl]pyrazin-2-amine
CID 103055585
5-(diethylaminomethyl)-N-ethylpyrazin-2-amine
CID 103055417
2-[[5-(ethylamino)pyrazin-2-yl]methyl-methylamino]ethanol
CID 103055749
6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 112664312
N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylbutan-2-amine
CID 103060886
5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 112664315
N-ethyl-5-[[ethyl(1-methoxypropan-2-yl)amino]methyl]pyrazin-2-amine
CID 103055808
2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719135
5-[(4-bromophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059893
5-[[bis(2-ethoxyethyl)amino]methyl]-N-ethylpyrazin-2-amine
CID 103056772
N-methyl-1-methylsulfanyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-2-amine
CID 106907072

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine (CID 103056808) is N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine is CCNc1cnc(CN(C)C(CC)CSC)cn1.
What is the InChIKey of N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine?
The InChIKey is ZXJQUDJAEFUDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-5-12(10-18-4)17(3)9-11-7-16-13(8-15-11)14-6-2/h7-8,12H,5-6,9-10H2,1-4H3,(H,14,16).
What are the key properties of N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine?
N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine has a molecular weight of 268.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine is sourced from PubChem (CID 103056808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).