6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione

C13H12FN3O3S — CID 7715516

IUPAC6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H12FN3O3S/c1-17-11(15)10(12(19)16-13(17)20)9(18)6-21-8-4-2-7(14)3-5-8/h2-5H,6,15H2,1H3,(H,16,19,20)
InChIKeyBJBHPABXRVALRC-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.77
Rot. Bonds4

About 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione

6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione (PubChem CID 7715516) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione
PubChem CID7715516
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H12FN3O3S/c1-17-11(15)10(12(19)16-13(17)20)9(18)6-21-8-4-2-7(14)3-5-8/h2-5H,6,15H2,1H3,(H,16,19,20)
InChIKeyBJBHPABXRVALRC-UHFFFAOYSA-N
XLogP0.77
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Ethyl-1-ethoxymethyl-6-(phenylthio)uracil
CID 64997
1-Methoxymethyl-6-(phenylthio)thymine
CID 454545
1-Methyl-6-(phenylthio)thymine
CID 454566
6-Amino-3-methyl-1-(2-methylpropyl)-5-(2-phenylsulfanylacetyl)pyrimidine-2,4-dione
CID 2116311
6-Amino-1-butyl-5-phenylsulfanylpyrimidine-2,4-dione
CID 2379432
5-Ethyl-1-(2-hydroxyethylsulfanylmethyl)-6-phenylsulfanylpyrimidine-2,4-dione
CID 44343480
5-Ethyl-1-isobutyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione
CID 44356248
1-[(2-Fluoroethoxy)methyl]-6-(phenylthio)thymine
CID 453103
1-Ethyl-6-(phenylthio)thymine
CID 454567
1-Butyl-6-(phenylthio)thymine
CID 454568
6-Amino-5-(4-fluorophenyl)sulfanyl-1,3-dimethylpyrimidine-2,4-dione
CID 2331013
5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione
CID 11807607

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione (CID 7715516) is 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is BJBHPABXRVALRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c1-17-11(15)10(12(19)16-13(17)20)9(18)6-21-8-4-2-7(14)3-5-8/h2-5H,6,15H2,1H3,(H,16,19,20).
What are the key properties of 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione?
6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 309.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 7715516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).