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

C15H16FN3O3S — CID 7228897

IUPAC6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H16FN3O3S/c1-2-7-19-13(17)12(14(21)18-15(19)22)11(20)8-23-10-5-3-9(16)4-6-10/h3-6H,2,7-8,17H2,1H3,(H,18,21,22)
InChIKeyBKBLBWKAOYKJST-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.64
Rot. Bonds6

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

6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 7228897) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
PubChem CID7228897
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H16FN3O3S/c1-2-7-19-13(17)12(14(21)18-15(19)22)11(20)8-23-10-5-3-9(16)4-6-10/h3-6H,2,7-8,17H2,1H3,(H,18,21,22)
InChIKeyBKBLBWKAOYKJST-UHFFFAOYSA-N
XLogP1.64
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione (CID 7228897) is 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(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-propylpyrimidine-2,4-dione?
The InChIKey is BKBLBWKAOYKJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-2-7-19-13(17)12(14(21)18-15(19)22)11(20)8-23-10-5-3-9(16)4-6-10/h3-6H,2,7-8,17H2,1H3,(H,18,21,22).
What are the key properties of 6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(4-fluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 337.38 g/mol, XLogP of 1.64, 6 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-propylpyrimidine-2,4-dione is sourced from PubChem (CID 7228897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).