N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine

C16H20FN3S — CID 106534219

IUPACN-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Sc2nc(C)c(C)c(C)n2)c1
InChIInChI=1S/C16H20FN3S/c1-5-18-9-13-6-14(17)8-15(7-13)21-16-19-11(3)10(2)12(4)20-16/h6-8,18H,5,9H2,1-4H3
InChIKeyVZDXUUCCVRQAMN-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.80
Rot. Bonds5

About N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine

N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine (PubChem CID 106534219) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
PubChem CID106534219
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC NameN-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Sc2nc(C)c(C)c(C)n2)c1
InChIInChI=1S/C16H20FN3S/c1-5-18-9-13-6-14(17)8-15(7-13)21-16-19-11(3)10(2)12(4)20-16/h6-8,18H,5,9H2,1-4H3
InChIKeyVZDXUUCCVRQAMN-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-5-(4-fluorophenyl)sulfanylphenyl]methyl]ethanamine
CID 106533997
N-[[3-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]methyl]ethanamine
CID 106534223
N-[(3-fluoro-5-propan-2-ylsulfanylphenyl)methyl]ethanamine
CID 106534100
N-[[3-fluoro-5-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]ethanamine
CID 106533962
N-[[3-(1,3-benzothiazol-2-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine
CID 106533950
N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
CID 106534180
3-[3-(ethylaminomethyl)-5-fluorophenyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 106534120
N-[[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluorophenyl]methyl]propan-1-amine
CID 106534160
2-[4-(ethylaminomethyl)-2-fluorophenyl]sulfanylpyrimidine-4,6-diamine
CID 63813912
2-[3,5-difluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 65041442
N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533327
N-[[3-fluoro-5-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]ethanamine
CID 106534270

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine (CID 106534219) is N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine is CCNCc1cc(F)cc(Sc2nc(C)c(C)c(C)n2)c1.
What is the InChIKey of N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is VZDXUUCCVRQAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-5-18-9-13-6-14(17)8-15(7-13)21-16-19-11(3)10(2)12(4)20-16/h6-8,18H,5,9H2,1-4H3.
What are the key properties of N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine?
N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 305.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 106534219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).