N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

C23H26N8O3S — CID 24602186

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2ncnc3c2cnn3C)c(=O)[nH]c1=O
InChIInChI=1S/C23H26N8O3S/c1-3-4-10-30-19(24)18(21(33)28-23(30)34)31(12-15-8-6-5-7-9-15)17(32)13-35-22-16-11-27-29(2)20(16)25-14-26-22/h5-9,11,14H,3-4,10,12-13,24H2,1-2H3,(H,28,33,34)
InChIKeyOAROMRJHDXKPCM-UHFFFAOYSA-N
MW494.58 g/mol
LogP1.92
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 24602186) has the molecular formula C23H26N8O3S and a molecular weight of 494.58 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID24602186
Molecular FormulaC23H26N8O3S
Molecular Weight494.58 g/mol
Exact Mass494.18
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2ncnc3c2cnn3C)c(=O)[nH]c1=O
InChIInChI=1S/C23H26N8O3S/c1-3-4-10-30-19(24)18(21(33)28-23(30)34)31(12-15-8-6-5-7-9-15)17(32)13-35-22-16-11-27-29(2)20(16)25-14-26-22/h5-9,11,14H,3-4,10,12-13,24H2,1-2H3,(H,28,33,34)
InChIKeyOAROMRJHDXKPCM-UHFFFAOYSA-N
XLogP1.92
TPSA144.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 51.92
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-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 24602186) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2ncnc3c2cnn3C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is OAROMRJHDXKPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O3S/c1-3-4-10-30-19(24)18(21(33)28-23(30)34)31(12-15-8-6-5-7-9-15)17(32)13-35-22-16-11-27-29(2)20(16)25-14-26-22/h5-9,11,14H,3-4,10,12-13,24H2,1-2H3,(H,28,33,34).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 494.58 g/mol, XLogP of 1.92, 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-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 24602186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).