3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one

C15H15FN4OS — CID 56788255

IUPAC3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCc1cc(N)nc(SC2CCN(c3ccccc3F)C2=O)n1
InChIInChI=1S/C15H15FN4OS/c1-9-8-13(17)19-15(18-9)22-12-6-7-20(14(12)21)11-5-3-2-4-10(11)16/h2-5,8,12H,6-7H2,1H3,(H2,17,18,19)
InChIKeyOBMGBOFGUVBZBX-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.40
Rot. Bonds3

About 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one

3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 56788255) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID56788255
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one
SMILESCc1cc(N)nc(SC2CCN(c3ccccc3F)C2=O)n1
InChIInChI=1S/C15H15FN4OS/c1-9-8-13(17)19-15(18-9)22-12-6-7-20(14(12)21)11-5-3-2-4-10(11)16/h2-5,8,12H,6-7H2,1H3,(H2,17,18,19)
InChIKeyOBMGBOFGUVBZBX-UHFFFAOYSA-N
XLogP2.40
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one (CID 56788255) is 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one is Cc1cc(N)nc(SC2CCN(c3ccccc3F)C2=O)n1.
What is the InChIKey of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is OBMGBOFGUVBZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-9-8-13(17)19-15(18-9)22-12-6-7-20(14(12)21)11-5-3-2-4-10(11)16/h2-5,8,12H,6-7H2,1H3,(H2,17,18,19).
What are the key properties of 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one?
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 318.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 56788255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).