5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine

C10H16ClN3S — CID 107373561

IUPAC5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine
SMILESCSCC(C)N(C)c1cnc(CCl)cn1
InChIInChI=1S/C10H16ClN3S/c1-8(7-15-3)14(2)10-6-12-9(4-11)5-13-10/h5-6,8H,4,7H2,1-3H3
InChIKeyPPFGLLFTYRNVTH-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.40
Rot. Bonds5

About 5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine

5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine (PubChem CID 107373561) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine
PubChem CID107373561
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine
SMILESCSCC(C)N(C)c1cnc(CCl)cn1
InChIInChI=1S/C10H16ClN3S/c1-8(7-15-3)14(2)10-6-12-9(4-11)5-13-10/h5-6,8H,4,7H2,1-3H3
InChIKeyPPFGLLFTYRNVTH-UHFFFAOYSA-N
XLogP2.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-N-methyl-N-(4-methylpentan-2-yl)pyrazin-2-amine
CID 107373417
[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol
CID 107372975
5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine
CID 107373326
N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine
CID 107380932
N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine
CID 107380930
4-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 112663645
6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine
CID 112663158
6-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridazin-3-amine
CID 112665403
5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
CID 107373392
N-methyl-5-(2-methylpropyl)-N-propan-2-ylpyrazin-2-amine
CID 155088201
N,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine
CID 75509870
2-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 112663634

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine (CID 107373561) is 5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine is CSCC(C)N(C)c1cnc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine?
The InChIKey is PPFGLLFTYRNVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-8(7-15-3)14(2)10-6-12-9(4-11)5-13-10/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine?
5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine has a molecular weight of 245.78 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 107373561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).