6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione

C12H12FN3O2S — CID 2331013

IUPAC6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(Sc2ccc(F)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H12FN3O2S/c1-15-10(14)9(11(17)16(2)12(15)18)19-8-5-3-7(13)4-6-8/h3-6H,14H2,1-2H3
InChIKeySBWMCNVZIZDAOC-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.96
Rot. Bonds2

About 6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2331013) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2331013
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(Sc2ccc(F)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H12FN3O2S/c1-15-10(14)9(11(17)16(2)12(15)18)19-8-5-3-7(13)4-6-8/h3-6H,14H2,1-2H3
InChIKeySBWMCNVZIZDAOC-UHFFFAOYSA-N
XLogP0.96
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione (CID 2331013) is 6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(Sc2ccc(F)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SBWMCNVZIZDAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-15-10(14)9(11(17)16(2)12(15)18)19-8-5-3-7(13)4-6-8/h3-6H,14H2,1-2H3.
What are the key properties of 6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2331013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).