6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine

C11H9ClFN3S — CID 80545284

IUPAC6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2ccccc2F)n1
InChIInChI=1S/C11H9ClFN3S/c1-17-11-15-9(12)6-10(16-11)14-8-5-3-2-4-7(8)13/h2-6H,1H3,(H,14,15,16)
InChIKeyMWLSQDVPLFNGAM-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.73
Rot. Bonds3

About 6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80545284) has the molecular formula C11H9ClFN3S and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80545284
Molecular FormulaC11H9ClFN3S
Molecular Weight269.73 g/mol
Exact Mass269.02
IUPAC Name6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(Nc2ccccc2F)n1
InChIInChI=1S/C11H9ClFN3S/c1-17-11-15-9(12)6-10(16-11)14-8-5-3-2-4-7(8)13/h2-6H,1H3,(H,14,15,16)
InChIKeyMWLSQDVPLFNGAM-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine (CID 80545284) is 6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine is CSc1nc(Cl)cc(Nc2ccccc2F)n1.
What is the InChIKey of 6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is MWLSQDVPLFNGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3S/c1-17-11-15-9(12)6-10(16-11)14-8-5-3-2-4-7(8)13/h2-6H,1H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 269.73 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80545284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).