1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine

C16H20FN3S — CID 62304287

IUPAC1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)C(Sc1nc(C)cc(C)n1)c1cccc(F)c1
InChIInChI=1S/C16H20FN3S/c1-4-14(18)15(12-6-5-7-13(17)9-12)21-16-19-10(2)8-11(3)20-16/h5-9,14-15H,4,18H2,1-3H3
InChIKeyKIXIXPYWRLYPBI-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.80
Rot. Bonds5

About 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine

1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine (PubChem CID 62304287) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine
PubChem CID62304287
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine
SMILESCCC(N)C(Sc1nc(C)cc(C)n1)c1cccc(F)c1
InChIInChI=1S/C16H20FN3S/c1-4-14(18)15(12-6-5-7-13(17)9-12)21-16-19-10(2)8-11(3)20-16/h5-9,14-15H,4,18H2,1-3H3
InChIKeyKIXIXPYWRLYPBI-UHFFFAOYSA-N
XLogP3.80
TPSA51.80 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

1-butylsulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 55019445
3-[2-amino-1-(3-fluorophenyl)butyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 62883728
1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 55019688
1-[(2-chlorophenyl)methylsulfanyl]-1-(3-fluorophenyl)butan-2-amine
CID 103288430
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3,4-dimethylphenyl)sulfanyl-1-(3-methylphenyl)butan-2-amine
CID 63539409
1,1-bis(3-fluorophenyl)pentan-3-amine
CID 22708360
1-(3-fluorophenyl)-1-(4-methylsulfanylphenoxy)butan-2-amine
CID 63648836
1-(3-methylphenyl)-1-pyrazin-2-ylsulfanylbutan-2-amine
CID 63380747
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
1-(4-fluorophenyl)-1-phenylsulfanylbutan-2-amine
CID 55015175
1-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)propan-2-amine
CID 55019396

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine (CID 62304287) is 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine is CCC(N)C(Sc1nc(C)cc(C)n1)c1cccc(F)c1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine?
The InChIKey is KIXIXPYWRLYPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-4-14(18)15(12-6-5-7-13(17)9-12)21-16-19-10(2)8-11(3)20-16/h5-9,14-15H,4,18H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine?
1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine 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 1-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 62304287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).