3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine

C13H17N3S — CID 83064073

IUPAC3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine
SMILESCc1ccc(CC(C)Nc2nccnc2C)s1
InChIInChI=1S/C13H17N3S/c1-9(8-12-5-4-10(2)17-12)16-13-11(3)14-6-7-15-13/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyHLRCLUYVZMFHJD-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.20
Rot. Bonds4

About 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine

3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine (PubChem CID 83064073) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine
PubChem CID83064073
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine
SMILESCc1ccc(CC(C)Nc2nccnc2C)s1
InChIInChI=1S/C13H17N3S/c1-9(8-12-5-4-10(2)17-12)16-13-11(3)14-6-7-15-13/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyHLRCLUYVZMFHJD-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine?
The IUPAC name of 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine (CID 83064073) is 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine.
What is the SMILES notation for 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine?
The canonical SMILES for 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine is Cc1ccc(CC(C)Nc2nccnc2C)s1.
What is the InChIKey of 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine?
The InChIKey is HLRCLUYVZMFHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9(8-12-5-4-10(2)17-12)16-13-11(3)14-6-7-15-13/h4-7,9H,8H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine?
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrazin-2-amine is sourced from PubChem (CID 83064073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).