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

C16H24N6O3S — CID 24649365

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

6-amino-5-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 24649365) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-amino-5-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-5-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
• PubChem CID: 24649365
• Molecular Formula: C16H24N6O3S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.16
• IUPAC Name: 6-amino-5-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
• SMILES: CC(C)Cn1c(N)c(C(=O)CSc2n[nH]c(C(C)(C)C)n2)c(=O)[nH]c1=O
• InChI: InChI=1S/C16H24N6O3S/c1-8(2)6-22-11(17)10(12(24)18-15(22)25)9(23)7-26-14-19-13(20-21-14)16(3,4)5/h8H,6-7,17H2,1-5H3,(H,18,24,25)(H,19,20,21)
• InChIKey: NGAXZIJCTHYRPL-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 139.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-amino-5-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 24649365) is 6-amino-5-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.

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

The canonical SMILES for 6-amino-5-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CSc2n[nH]c(C(C)(C)C)n2)c(=O)[nH]c1=O.

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

The InChIKey is NGAXZIJCTHYRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-8(2)6-22-11(17)10(12(24)18-15(22)25)9(23)7-26-14-19-13(20-21-14)16(3,4)5/h8H,6-7,17H2,1-5H3,(H,18,24,25)(H,19,20,21).

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

6-amino-5-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 380.47 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 24649365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).