N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide

C19H28N4O4S — CID 30842008

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCCCSCC(=O)N(Cc1ccco1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N4O4S/c1-3-5-9-22-17(20)16(18(25)21-19(22)26)23(12-14-8-7-10-27-14)15(24)13-28-11-6-4-2/h7-8,10H,3-6,9,11-13,20H2,1-2H3,(H,21,25,26)
InChIKeyOPJQWWNGMNEVGO-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.58
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 30842008) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID30842008
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCCCSCC(=O)N(Cc1ccco1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N4O4S/c1-3-5-9-22-17(20)16(18(25)21-19(22)26)23(12-14-8-7-10-27-14)15(24)13-28-11-6-4-2/h7-8,10H,3-6,9,11-13,20H2,1-2H3,(H,21,25,26)
InChIKeyOPJQWWNGMNEVGO-UHFFFAOYSA-N
XLogP2.58
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 29441403
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-phenylsulfanylbutanamide
CID 26195819
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)acetamide
CID 30846728
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 30996929
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 17403772
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 30659791
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 38908007
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 40942446
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 7918639
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 26195962
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 26195848

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide (CID 30842008) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide is CCCCSCC(=O)N(Cc1ccco1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OPJQWWNGMNEVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-3-5-9-22-17(20)16(18(25)21-19(22)26)23(12-14-8-7-10-27-14)15(24)13-28-11-6-4-2/h7-8,10H,3-6,9,11-13,20H2,1-2H3,(H,21,25,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 408.52 g/mol, XLogP of 2.58, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 30842008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).