5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine

C11H9F2N3S — CID 80883253

IUPAC5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ccc(F)cc2)n1
InChIInChI=1S/C11H9F2N3S/c1-14-11-15-6-9(13)10(16-11)17-8-4-2-7(12)3-5-8/h2-6H,1H3,(H,14,15,16)
InChIKeyCCSKZDORXBFBED-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.95
Rot. Bonds3

About 5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine

5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine (PubChem CID 80883253) has the molecular formula C11H9F2N3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
PubChem CID80883253
Molecular FormulaC11H9F2N3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ccc(F)cc2)n1
InChIInChI=1S/C11H9F2N3S/c1-14-11-15-6-9(13)10(16-11)17-8-4-2-7(12)3-5-8/h2-6H,1H3,(H,14,15,16)
InChIKeyCCSKZDORXBFBED-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine
CID 80924960
4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80893618
5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80890508
3-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80891867
4-(4-bromophenyl)sulfanyl-N-ethyl-5-fluoropyrimidin-2-amine
CID 80893337
4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80891170
4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80886788
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
N-ethyl-5-fluoro-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80890860
5-fluoro-4-N-(4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761234
4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80894473
5-bromo-4-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80891409

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine (CID 80883253) is 5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine is CNc1ncc(F)c(Sc2ccc(F)cc2)n1.
What is the InChIKey of 5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
The InChIKey is CCSKZDORXBFBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3S/c1-14-11-15-6-9(13)10(16-11)17-8-4-2-7(12)3-5-8/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine?
5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine has a molecular weight of 253.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80883253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).