6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione

C15H15F2N3O3S — CID 7737152

IUPAC6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2ccc(F)c(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C15H15F2N3O3S/c1-2-5-20-13(18)12(14(22)19-15(20)23)11(21)7-24-8-3-4-9(16)10(17)6-8/h3-4,6H,2,5,7,18H2,1H3,(H,19,22,23)
InChIKeyBATMICUHQBYQJG-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.78
Rot. Bonds6

About 6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 7737152) has the molecular formula C15H15F2N3O3S and a molecular weight of 355.37 g/mol. Its IUPAC name is 6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
PubChem CID7737152
Molecular FormulaC15H15F2N3O3S
Molecular Weight355.37 g/mol
Exact Mass355.08
IUPAC Name6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CSc2ccc(F)c(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C15H15F2N3O3S/c1-2-5-20-13(18)12(14(22)19-15(20)23)11(21)7-24-8-3-4-9(16)10(17)6-8/h3-4,6H,2,5,7,18H2,1H3,(H,19,22,23)
InChIKeyBATMICUHQBYQJG-UHFFFAOYSA-N
XLogP1.78
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.78
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-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione (CID 7737152) is 6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2ccc(F)c(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is BATMICUHQBYQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3S/c1-2-5-20-13(18)12(14(22)19-15(20)23)11(21)7-24-8-3-4-9(16)10(17)6-8/h3-4,6H,2,5,7,18H2,1H3,(H,19,22,23).
What are the key properties of 6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 355.37 g/mol, XLogP of 1.78, 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-(3,4-difluorophenyl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 7737152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).