N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

C22H24N8O3S — CID 24578552

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2nc3ncccn3n2)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N8O3S/c1-2-3-11-28-18(23)17(19(32)25-22(28)33)29(13-15-8-5-4-6-9-15)16(31)14-34-21-26-20-24-10-7-12-30(20)27-21/h4-10,12H,2-3,11,13-14,23H2,1H3,(H,25,32,33)
InChIKeyPFNOPQUZICXGMA-UHFFFAOYSA-N
MW480.55 g/mol
LogP1.68
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (PubChem CID 24578552) has the molecular formula C22H24N8O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
PubChem CID24578552
Molecular FormulaC22H24N8O3S
Molecular Weight480.55 g/mol
Exact Mass480.17
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2nc3ncccn3n2)c(=O)[nH]c1=O
InChIInChI=1S/C22H24N8O3S/c1-2-3-11-28-18(23)17(19(32)25-22(28)33)29(13-15-8-5-4-6-9-15)16(31)14-34-21-26-20-24-10-7-12-30(20)27-21/h4-10,12H,2-3,11,13-14,23H2,1H3,(H,25,32,33)
InChIKeyPFNOPQUZICXGMA-UHFFFAOYSA-N
XLogP1.68
TPSA144.27 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide (CID 24578552) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2nc3ncccn3n2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
The InChIKey is PFNOPQUZICXGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3S/c1-2-3-11-28-18(23)17(19(32)25-22(28)33)29(13-15-8-5-4-6-9-15)16(31)14-34-21-26-20-24-10-7-12-30(20)27-21/h4-10,12H,2-3,11,13-14,23H2,1H3,(H,25,32,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide has a molecular weight of 480.55 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 24578552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).