(1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine

C13H15N3S — CID 78938929

IUPAC(1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
SMILESCc1cnc(Sc2ccccc2[C@@H](C)N)nc1
InChIInChI=1S/C13H15N3S/c1-9-7-15-13(16-8-9)17-12-6-4-3-5-11(12)10(2)14/h3-8,10H,14H2,1-2H3/t10-/m1/s1
InChIKeyIYJNJZYTDISVPH-SNVBAGLBSA-N
MW245.35 g/mol
LogP2.96
Rot. Bonds3

About (1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine

(1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine (PubChem CID 78938929) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is (1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
PubChem CID78938929
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name(1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
SMILESCc1cnc(Sc2ccccc2[C@@H](C)N)nc1
InChIInChI=1S/C13H15N3S/c1-9-7-15-13(16-8-9)17-12-6-4-3-5-11(12)10(2)14/h3-8,10H,14H2,1-2H3/t10-/m1/s1
InChIKeyIYJNJZYTDISVPH-SNVBAGLBSA-N
XLogP2.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine (CID 78938929) is (1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine is Cc1cnc(Sc2ccccc2[C@@H](C)N)nc1.
What is the InChIKey of (1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The InChIKey is IYJNJZYTDISVPH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-7-15-13(16-8-9)17-12-6-4-3-5-11(12)10(2)14/h3-8,10H,14H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
(1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine has a molecular weight of 245.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 78938929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).