N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide

C16H24N6O3S — CID 9200802

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CSc2nccn2C)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N6O3S/c1-4-6-8-22-13(17)12(14(24)19-15(22)25)21(5-2)11(23)10-26-16-18-7-9-20(16)3/h7,9H,4-6,8,10,17H2,1-3H3,(H,19,24,25)
InChIKeyRIKQFGFWELAUME-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.80
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 9200802) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID9200802
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CSc2nccn2C)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N6O3S/c1-4-6-8-22-13(17)12(14(24)19-15(22)25)21(5-2)11(23)10-26-16-18-7-9-20(16)3/h7,9H,4-6,8,10,17H2,1-3H3,(H,19,24,25)
InChIKeyRIKQFGFWELAUME-UHFFFAOYSA-N
XLogP0.80
TPSA119.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 42256902
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55534766
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(methylamino)acetamide
CID 18087322
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287083
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
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 9200802) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is CCCCn1c(N)c(N(CC)C(=O)CSc2nccn2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is RIKQFGFWELAUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-4-6-8-22-13(17)12(14(24)19-15(22)25)21(5-2)11(23)10-26-16-18-7-9-20(16)3/h7,9H,4-6,8,10,17H2,1-3H3,(H,19,24,25).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 380.47 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 9200802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).