(1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine

C13H14FN3S — CID 114059001

IUPAC(1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
SMILESCc1cnc(Sc2c(F)cccc2[C@H](C)N)nc1
InChIInChI=1S/C13H14FN3S/c1-8-6-16-13(17-7-8)18-12-10(9(2)15)4-3-5-11(12)14/h3-7,9H,15H2,1-2H3/t9-/m0/s1
InChIKeyGQGPZUAKVHTVJV-VIFPVBQESA-N
MW263.34 g/mol
LogP3.10
Rot. Bonds3

About (1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine

(1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine (PubChem CID 114059001) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
PubChem CID114059001
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name(1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
SMILESCc1cnc(Sc2c(F)cccc2[C@H](C)N)nc1
InChIInChI=1S/C13H14FN3S/c1-8-6-16-13(17-7-8)18-12-10(9(2)15)4-3-5-11(12)14/h3-7,9H,15H2,1-2H3/t9-/m0/s1
InChIKeyGQGPZUAKVHTVJV-VIFPVBQESA-N
XLogP3.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 78938929
1-[3-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]ethanamine
CID 114059039
1-(3-fluoro-2-pyrimidin-2-ylsulfanylphenyl)-N-methylethanamine
CID 114058982
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-[3-fluoro-2-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 114059014
(1S)-1-[3-fluoro-2-(1H-imidazol-5-yl)phenyl]ethanamine
CID 174710447
[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
CID 61382947
(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline
CID 104835593
2,4-difluoro-6-(5-methylpyrimidin-2-yl)sulfanylaniline
CID 115507622
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446522
(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
CID 130700725

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The IUPAC name of (1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine (CID 114059001) is (1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine is Cc1cnc(Sc2c(F)cccc2[C@H](C)N)nc1.
What is the InChIKey of (1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
The InChIKey is GQGPZUAKVHTVJV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14FN3S/c1-8-6-16-13(17-7-8)18-12-10(9(2)15)4-3-5-11(12)14/h3-7,9H,15H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine?
(1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 114059001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).