1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine

C16H20FN3S — CID 65043474

IUPAC1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCc1nc(SC(c2ccccc2F)C(C)N)nc(C)c1C
InChIInChI=1S/C16H20FN3S/c1-9-11(3)19-16(20-12(9)4)21-15(10(2)18)13-7-5-6-8-14(13)17/h5-8,10,15H,18H2,1-4H3
InChIKeyIJAWETVSMAXTOJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.72
Rot. Bonds4

About 1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine

1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine (PubChem CID 65043474) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
PubChem CID65043474
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCc1nc(SC(c2ccccc2F)C(C)N)nc(C)c1C
InChIInChI=1S/C16H20FN3S/c1-9-11(3)19-16(20-12(9)4)21-15(10(2)18)13-7-5-6-8-14(13)17/h5-8,10,15H,18H2,1-4H3
InChIKeyIJAWETVSMAXTOJ-UHFFFAOYSA-N
XLogP3.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 55019046
1-(2-fluorophenyl)-1-(4-methylphenyl)sulfanylpropan-2-amine
CID 55018702
1-(2-bromophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55018560
1-(2-fluorophenyl)sulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019060
4,4,4-trifluoro-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 65038616
1-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 63538237
1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 65038348
1-(2-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 55018556
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55101417
3-[2-amino-1-(2-fluorophenyl)propyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785790
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
3-[2-amino-1-(2-fluorophenyl)propyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 62883025

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine (CID 65043474) is 1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine is Cc1nc(SC(c2ccccc2F)C(C)N)nc(C)c1C.
What is the InChIKey of 1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine?
The InChIKey is IJAWETVSMAXTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-9-11(3)19-16(20-12(9)4)21-15(10(2)18)13-7-5-6-8-14(13)17/h5-8,10,15H,18H2,1-4H3.
What are the key properties of 1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine?
1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine has a molecular weight of 305.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 65043474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).