6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione

C24H22FN5O3S — CID 6416531

About 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 6416531) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 g/mol. Its IUPAC name is 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
• PubChem CID: 6416531
• Molecular Formula: C24H22FN5O3S
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.14
• IUPAC Name: 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
• SMILES: CCCn1c(N)c(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c(=O)n(C)c1=O
• InChI: InChI=1S/C24H22FN5O3S/c1-3-12-30-21(26)19(23(32)29(2)24(30)33)18(31)13-34-22-17-7-5-4-6-16(17)20(27-28-22)14-8-10-15(25)11-9-14/h4-11H,3,12-13,26H2,1-2H3
• InChIKey: ZXQGHLWTJCVBFE-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 112.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione?

The IUPAC name of 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 6416531) is 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione?

The canonical SMILES for 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c(=O)n(C)c1=O.

What is the InChIKey of 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione?

The InChIKey is ZXQGHLWTJCVBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c1-3-12-30-21(26)19(23(32)29(2)24(30)33)18(31)13-34-22-17-7-5-4-6-16(17)20(27-28-22)14-8-10-15(25)11-9-14/h4-11H,3,12-13,26H2,1-2H3.

What are the key properties of 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione?

6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 479.54 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 6416531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).