6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine

C14H15F2N3S — CID 80887870

IUPAC6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccc(F)c(F)c2)c1CC
InChIInChI=1S/C14H15F2N3S/c1-3-10-13(17-4-2)18-8-19-14(10)20-9-5-6-11(15)12(16)7-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyBFXOMUZSEMLAGT-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.90
Rot. Bonds5

About 6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine

6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine (PubChem CID 80887870) has the molecular formula C14H15F2N3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine
PubChem CID80887870
Molecular FormulaC14H15F2N3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2ccc(F)c(F)c2)c1CC
InChIInChI=1S/C14H15F2N3S/c1-3-10-13(17-4-2)18-8-19-14(10)20-9-5-6-11(15)12(16)7-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyBFXOMUZSEMLAGT-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,5-diethylpyrimidin-4-amine
CID 80873809
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
CID 80891845
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80891542
[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80926034
6-(2,5-difluorophenyl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80885129
5-bromo-N-ethyl-6-(3-fluorophenyl)sulfanylpyrimidin-4-amine
CID 114073920
5-ethyl-N-methyl-6-phenylsulfanylpyrimidin-4-amine
CID 80887845
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80962814
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80893146
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
CID 80883053

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine (CID 80887870) is 6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(Sc2ccc(F)c(F)c2)c1CC.
What is the InChIKey of 6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine?
The InChIKey is BFXOMUZSEMLAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3S/c1-3-10-13(17-4-2)18-8-19-14(10)20-9-5-6-11(15)12(16)7-9/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine?
6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine has a molecular weight of 295.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 80887870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).