N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide

C22H36N6O3S — CID 55517403

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
SMILESCCCCN(C(=O)CSc1nc(C)c(C)n1CCCC)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H36N6O3S/c1-6-9-12-26-16(5)15(4)24-22(26)32-14-17(29)27(13-10-7-2)18-19(23)28(11-8-3)21(31)25-20(18)30/h6-14,23H2,1-5H3,(H,25,30,31)
InChIKeyBAIKRQURCNASID-UHFFFAOYSA-N
MW464.64 g/mol
LogP3.07
Rot. Bonds12

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide (PubChem CID 55517403) has the molecular formula C22H36N6O3S and a molecular weight of 464.64 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
PubChem CID55517403
Molecular FormulaC22H36N6O3S
Molecular Weight464.64 g/mol
Exact Mass464.26
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
SMILESCCCCN(C(=O)CSc1nc(C)c(C)n1CCCC)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H36N6O3S/c1-6-9-12-26-16(5)15(4)24-22(26)32-14-17(29)27(13-10-7-2)18-19(23)28(11-8-3)21(31)25-20(18)30/h6-14,23H2,1-5H3,(H,25,30,31)
InChIKeyBAIKRQURCNASID-UHFFFAOYSA-N
XLogP3.07
TPSA119.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24652893
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
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1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
CID 9438137
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 9200802
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-butylacetamide
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CID 27653302
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27788858
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylacetamide
CID 2122951
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chlorobutanamide
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[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-methylpropanoate
CID 7782512
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(1-ethylimidazol-2-yl)sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide (CID 55517403) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide is CCCCN(C(=O)CSc1nc(C)c(C)n1CCCC)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
The InChIKey is BAIKRQURCNASID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O3S/c1-6-9-12-26-16(5)15(4)24-22(26)32-14-17(29)27(13-10-7-2)18-19(23)28(11-8-3)21(31)25-20(18)30/h6-14,23H2,1-5H3,(H,25,30,31).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide has a molecular weight of 464.64 g/mol, XLogP of 3.07, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 55517403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).