2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine

C15H19N3S — CID 55238731

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine
SMILESCc1cc(C)nc(Sc2ccc(CCN)cc2C)n1
InChIInChI=1S/C15H19N3S/c1-10-8-13(6-7-16)4-5-14(10)19-15-17-11(2)9-12(3)18-15/h4-5,8-9H,6-7,16H2,1-3H3
InChIKeySJVIXNALXPEERU-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.05
Rot. Bonds4

About 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine

2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine (PubChem CID 55238731) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine
PubChem CID55238731
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine
SMILESCc1cc(C)nc(Sc2ccc(CCN)cc2C)n1
InChIInChI=1S/C15H19N3S/c1-10-8-13(6-7-16)4-5-14(10)19-15-17-11(2)9-12(3)18-15/h4-5,8-9H,6-7,16H2,1-3H3
InChIKeySJVIXNALXPEERU-UHFFFAOYSA-N
XLogP3.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2766290
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CID 2737477
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CID 145963515
CID 145963515
CID 1483267
CID 1483267
CID 24746811
CID 24746811
CID 45270348
CID 45270348
CID 45273829
CID 45273829
CID 3825787
CID 3825787
CID 1483219
CID 1483219
CID 24746819
CID 24746819

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine (CID 55238731) is 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine is Cc1cc(C)nc(Sc2ccc(CCN)cc2C)n1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine?
The InChIKey is SJVIXNALXPEERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-8-13(6-7-16)4-5-14(10)19-15-17-11(2)9-12(3)18-15/h4-5,8-9H,6-7,16H2,1-3H3.
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine?
2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-methylphenyl]ethanamine is sourced from PubChem (CID 55238731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).