2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine

C14H17N3S — CID 63818905

IUPAC2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
SMILESCc1cnc(Sc2ccc(CCN)c(C)c2)nc1
InChIInChI=1S/C14H17N3S/c1-10-8-16-14(17-9-10)18-13-4-3-12(5-6-15)11(2)7-13/h3-4,7-9H,5-6,15H2,1-2H3
InChIKeyUJFOJFBJEQGKKU-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.75
Rot. Bonds4

About 2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine

2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine (PubChem CID 63818905) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
PubChem CID63818905
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
SMILESCc1cnc(Sc2ccc(CCN)c(C)c2)nc1
InChIInChI=1S/C14H17N3S/c1-10-8-16-14(17-9-10)18-13-4-3-12(5-6-15)11(2)7-13/h3-4,7-9H,5-6,15H2,1-2H3
InChIKeyUJFOJFBJEQGKKU-UHFFFAOYSA-N
XLogP2.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The IUPAC name of 2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine (CID 63818905) is 2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for 2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine is Cc1cnc(Sc2ccc(CCN)c(C)c2)nc1.
What is the InChIKey of 2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The InChIKey is UJFOJFBJEQGKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-8-16-14(17-9-10)18-13-4-3-12(5-6-15)11(2)7-13/h3-4,7-9H,5-6,15H2,1-2H3.
What are the key properties of 2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine has a molecular weight of 259.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 63818905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).