6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione

C16H24N6O3S — CID 4819871

About 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione (PubChem CID 4819871) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
• PubChem CID: 4819871
• Molecular Formula: C16H24N6O3S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.16
• IUPAC Name: 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
• SMILES: CC(C)Cn1c(N)c(C(=O)CSc2nncn2C(C)C)c(=O)n(C)c1=O
• InChI: InChI=1S/C16H24N6O3S/c1-9(2)6-21-13(17)12(14(24)20(5)16(21)25)11(23)7-26-15-19-18-8-22(15)10(3)4/h8-10H,6-7,17H2,1-5H3
• InChIKey: JIKDILCALYJWOT-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 117.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione?

The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione (CID 4819871) is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione?

The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CSc2nncn2C(C)C)c(=O)n(C)c1=O.

What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione?

The InChIKey is JIKDILCALYJWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-9(2)6-21-13(17)12(14(24)20(5)16(21)25)11(23)7-26-15-19-18-8-22(15)10(3)4/h8-10H,6-7,17H2,1-5H3.

What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione?

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione has a molecular weight of 380.47 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4819871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).