6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine

C11H10FN3S — CID 80884520

IUPAC6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Sc1ccccc1F
InChIInChI=1S/C11H10FN3S/c1-7-10(13)14-6-15-11(7)16-9-5-3-2-4-8(9)12/h2-6H,1H3,(H2,13,14,15)
InChIKeyJVLRAWRBMJXPFL-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.66
Rot. Bonds2

About 6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine

6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine (PubChem CID 80884520) has the molecular formula C11H10FN3S and a molecular weight of 235.29 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
PubChem CID80884520
Molecular FormulaC11H10FN3S
Molecular Weight235.29 g/mol
Exact Mass235.06
IUPAC Name6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Sc1ccccc1F
InChIInChI=1S/C11H10FN3S/c1-7-10(13)14-6-15-11(7)16-9-5-3-2-4-8(9)12/h2-6H,1H3,(H2,13,14,15)
InChIKeyJVLRAWRBMJXPFL-UHFFFAOYSA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine (CID 80884520) is 6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine is Cc1c(N)ncnc1Sc1ccccc1F.
What is the InChIKey of 6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The InChIKey is JVLRAWRBMJXPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3S/c1-7-10(13)14-6-15-11(7)16-9-5-3-2-4-8(9)12/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine has a molecular weight of 235.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80884520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).