6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C23H20N6O3S — CID 6409357

IUPAC6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(=O)n(C)c1=O
InChIInChI=1S/C23H20N6O3S/c1-28-20(24)17(21(31)29(2)23(28)32)16(30)13-33-22-25-18(14-9-5-3-6-10-14)19(26-27-22)15-11-7-4-8-12-15/h3-12H,13,24H2,1-2H3
InChIKeyHQVOHGOZYZZQHY-UHFFFAOYSA-N
MW460.52 g/mol
LogP2.16
Rot. Bonds6

About 6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 6409357) has the molecular formula C23H20N6O3S and a molecular weight of 460.52 g/mol. Its IUPAC name is 6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID6409357
Molecular FormulaC23H20N6O3S
Molecular Weight460.52 g/mol
Exact Mass460.13
IUPAC Name6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(=O)n(C)c1=O
InChIInChI=1S/C23H20N6O3S/c1-28-20(24)17(21(31)29(2)23(28)32)16(30)13-33-22-25-18(14-9-5-3-6-10-14)19(26-27-22)15-11-7-4-8-12-15/h3-12H,13,24H2,1-2H3
InChIKeyHQVOHGOZYZZQHY-UHFFFAOYSA-N
XLogP2.16
TPSA125.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione (CID 6409357) is 6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is HQVOHGOZYZZQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3S/c1-28-20(24)17(21(31)29(2)23(28)32)16(30)13-33-22-25-18(14-9-5-3-6-10-14)19(26-27-22)15-11-7-4-8-12-15/h3-12H,13,24H2,1-2H3.
What are the key properties of 6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 460.52 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 6409357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).