N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide

C18H25BrN4O4 — CID 26185385

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(Br)o2)c(=O)[nH]c1=O
InChIInChI=1S/C18H25BrN4O4/c1-4-5-9-23-15(20)14(16(24)21-18(23)26)22(10-8-11(2)3)17(25)12-6-7-13(19)27-12/h6-7,11H,4-5,8-10,20H2,1-3H3,(H,21,24,26)
InChIKeyTZPQHDJEWIUPRM-UHFFFAOYSA-N
MW441.33 g/mol
LogP2.97
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide (PubChem CID 26185385) has the molecular formula C18H25BrN4O4 and a molecular weight of 441.33 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
PubChem CID26185385
Molecular FormulaC18H25BrN4O4
Molecular Weight441.33 g/mol
Exact Mass440.11
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(Br)o2)c(=O)[nH]c1=O
InChIInChI=1S/C18H25BrN4O4/c1-4-5-9-23-15(20)14(16(24)21-18(23)26)22(10-8-11(2)3)17(25)12-6-7-13(19)27-12/h6-7,11H,4-5,8-10,20H2,1-3H3,(H,21,24,26)
InChIKeyTZPQHDJEWIUPRM-UHFFFAOYSA-N
XLogP2.97
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-bromofuran-2-carboxamide
CID 26186357
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-[(2,4-dimethylphenoxy)methyl]-N-(3-methylbutyl)furan-2-carboxamide
CID 55997692
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 18077285
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide
CID 26185426
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide
CID 55338202
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-(3-methylbutyl)benzamide
CID 26185350
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,4-dichloro-N-(3-methylbutyl)benzamide
CID 26185365
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 52896459
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 16550078
5-(4-acetylphenyl)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylfuran-2-carboxamide
CID 16550906

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide (CID 26185385) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(Br)o2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide?
The InChIKey is TZPQHDJEWIUPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN4O4/c1-4-5-9-23-15(20)14(16(24)21-18(23)26)22(10-8-11(2)3)17(25)12-6-7-13(19)27-12/h6-7,11H,4-5,8-10,20H2,1-3H3,(H,21,24,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide has a molecular weight of 441.33 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide is sourced from PubChem (CID 26185385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).