2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine

C13H14FN3S — CID 66071816

IUPAC2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(CSc1ccc(F)cc1)c1cncnc1
InChIInChI=1S/C13H14FN3S/c1-15-13(10-6-16-9-17-7-10)8-18-12-4-2-11(14)3-5-12/h2-7,9,13,15H,8H2,1H3
InChIKeySXYKWPOVGHXTMT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.67
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine

2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine (PubChem CID 66071816) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
PubChem CID66071816
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(CSc1ccc(F)cc1)c1cncnc1
InChIInChI=1S/C13H14FN3S/c1-15-13(10-6-16-9-17-7-10)8-18-12-4-2-11(14)3-5-12/h2-7,9,13,15H,8H2,1H3
InChIKeySXYKWPOVGHXTMT-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine (CID 66071816) is 2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine is CNC(CSc1ccc(F)cc1)c1cncnc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine?
The InChIKey is SXYKWPOVGHXTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-15-13(10-6-16-9-17-7-10)8-18-12-4-2-11(14)3-5-12/h2-7,9,13,15H,8H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine?
2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-methyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 66071816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).