6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine

C18H19N3S — CID 133471560

IUPAC6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine
SMILESCc1cncc(NC(Cc2ccccc2)c2sccc2C)n1
InChIInChI=1S/C18H19N3S/c1-13-8-9-22-18(13)16(10-15-6-4-3-5-7-15)21-17-12-19-11-14(2)20-17/h3-9,11-12,16H,10H2,1-2H3,(H,20,21)
InChIKeySRJCTBFWJRGNOK-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.55
Rot. Bonds5

About 6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine

6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine (PubChem CID 133471560) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine
PubChem CID133471560
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine
SMILESCc1cncc(NC(Cc2ccccc2)c2sccc2C)n1
InChIInChI=1S/C18H19N3S/c1-13-8-9-22-18(13)16(10-15-6-4-3-5-7-15)21-17-12-19-11-14(2)20-17/h3-9,11-12,16H,10H2,1-2H3,(H,20,21)
InChIKeySRJCTBFWJRGNOK-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine?
The IUPAC name of 6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine (CID 133471560) is 6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine.
What is the SMILES notation for 6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine?
The canonical SMILES for 6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine is Cc1cncc(NC(Cc2ccccc2)c2sccc2C)n1.
What is the InChIKey of 6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine?
The InChIKey is SRJCTBFWJRGNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-13-8-9-22-18(13)16(10-15-6-4-3-5-7-15)21-17-12-19-11-14(2)20-17/h3-9,11-12,16H,10H2,1-2H3,(H,20,21).
What are the key properties of 6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine?
6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine has a molecular weight of 309.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine is sourced from PubChem (CID 133471560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).