1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine

C15H18FN3S — CID 63817974

IUPAC1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1Sc1nccc(C)n1
InChIInChI=1S/C15H18FN3S/c1-3-13(17)9-11-8-12(16)4-5-14(11)20-15-18-7-6-10(2)19-15/h4-8,13H,3,9,17H2,1-2H3
InChIKeyHFUYILJBPBWXAA-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.36
Rot. Bonds5

About 1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine

1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine (PubChem CID 63817974) has the molecular formula C15H18FN3S and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine
PubChem CID63817974
Molecular FormulaC15H18FN3S
Molecular Weight291.40 g/mol
Exact Mass291.12
IUPAC Name1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1Sc1nccc(C)n1
InChIInChI=1S/C15H18FN3S/c1-3-13(17)9-11-8-12(16)4-5-14(11)20-15-18-7-6-10(2)19-15/h4-8,13H,3,9,17H2,1-2H3
InChIKeyHFUYILJBPBWXAA-UHFFFAOYSA-N
XLogP3.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-phenylsulfanylphenyl)butan-2-amine
CID 55238932
1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114057670
[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 114865556
1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine
CID 112678650
4,5-bis[(4-methylpyrimidin-2-yl)sulfanyl]benzene-1,2-diol
CID 102477805
1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine
CID 63820015
1-(5-chloro-2-pyrimidin-4-ylsulfanylphenyl)butan-2-amine
CID 114866366
1-[6-(4-methylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]butan-2-amine
CID 63819682
1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 107701306
2-methyl-3-(4-methylpyrimidin-2-yl)sulfanylaniline
CID 63061556
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
2-[4-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 114866282

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine?
The IUPAC name of 1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine (CID 63817974) is 1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine.
What is the SMILES notation for 1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine?
The canonical SMILES for 1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1Sc1nccc(C)n1.
What is the InChIKey of 1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine?
The InChIKey is HFUYILJBPBWXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-3-13(17)9-11-8-12(16)4-5-14(11)20-15-18-7-6-10(2)19-15/h4-8,13H,3,9,17H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine?
1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine has a molecular weight of 291.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]butan-2-amine is sourced from PubChem (CID 63817974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).