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

C17H19N7O4S — CID 2507224

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

6-amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 2507224) has the molecular formula C17H19N7O4S and a molecular weight of 417.45 g/mol. Its IUPAC name is 6-amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
• PubChem CID: 2507224
• Molecular Formula: C17H19N7O4S
• Molecular Weight: 417.45 g/mol
• Exact Mass: 417.12
• IUPAC Name: 6-amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione
• SMILES: CCCn1c(N)c(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(=O)n(C)c1=O
• InChI: InChI=1S/C17H19N7O4S/c1-3-8-23-14(18)13(15(27)22(2)17(23)28)12(26)9-29-16-19-20-21-24(16)10-4-6-11(25)7-5-10/h4-7,25H,3,8-9,18H2,1-2H3
• InChIKey: LYCNYXYPMYRDPJ-UHFFFAOYSA-N
• XLogP: 0.20
• TPSA: 150.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.45
LogP ≤ 5	0.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 6-amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 2507224) is 6-amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

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

The canonical SMILES for 6-amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(=O)n(C)c1=O.

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

The InChIKey is LYCNYXYPMYRDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O4S/c1-3-8-23-14(18)13(15(27)22(2)17(23)28)12(26)9-29-16-19-20-21-24(16)10-4-6-11(25)7-5-10/h4-7,25H,3,8-9,18H2,1-2H3.

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

6-amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 417.45 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2507224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).