6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione

C15H16FN3O3S — CID 27171786

IUPAC6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@@H](Sc1ccc(F)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H16FN3O3S/c1-8(23-10-6-4-9(16)5-7-10)12(20)11-13(17)18(2)15(22)19(3)14(11)21/h4-8H,17H2,1-3H3/t8-/m1/s1
InChIKeyFTXHJMQJPVRIFP-MRVPVSSYSA-N
MW337.38 g/mol
LogP1.17
Rot. Bonds4

About 6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 27171786) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID27171786
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@@H](Sc1ccc(F)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H16FN3O3S/c1-8(23-10-6-4-9(16)5-7-10)12(20)11-13(17)18(2)15(22)19(3)14(11)21/h4-8H,17H2,1-3H3/t8-/m1/s1
InChIKeyFTXHJMQJPVRIFP-MRVPVSSYSA-N
XLogP1.17
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione (CID 27171786) is 6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione is C[C@@H](Sc1ccc(F)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is FTXHJMQJPVRIFP-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-8(23-10-6-4-9(16)5-7-10)12(20)11-13(17)18(2)15(22)19(3)14(11)21/h4-8H,17H2,1-3H3/t8-/m1/s1.
What are the key properties of 6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 337.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 27171786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).