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

C17H23BrN4O4 — CID 24982475

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Br)o2)c(=O)[nH]c1=O
InChIInChI=1S/C17H23BrN4O4/c1-4-5-8-21-14(19)13(15(23)20-17(21)25)22(9-10(2)3)16(24)11-6-7-12(18)26-11/h6-7,10H,4-5,8-9,19H2,1-3H3,(H,20,23,25)
InChIKeyMNRLSUJSZRUVCB-UHFFFAOYSA-N
MW427.30 g/mol
LogP2.58
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 24982475) has the molecular formula C17H23BrN4O4 and a molecular weight of 427.30 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID24982475
Molecular FormulaC17H23BrN4O4
Molecular Weight427.30 g/mol
Exact Mass426.09
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Br)o2)c(=O)[nH]c1=O
InChIInChI=1S/C17H23BrN4O4/c1-4-5-8-21-14(19)13(15(23)20-17(21)25)22(9-10(2)3)16(24)11-6-7-12(18)26-11/h6-7,10H,4-5,8-9,19H2,1-3H3,(H,20,23,25)
InChIKeyMNRLSUJSZRUVCB-UHFFFAOYSA-N
XLogP2.58
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide (CID 24982475) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide is CCCCn1c(N)c(N(CC(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-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is MNRLSUJSZRUVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O4/c1-4-5-8-21-14(19)13(15(23)20-17(21)25)22(9-10(2)3)16(24)11-6-7-12(18)26-11/h6-7,10H,4-5,8-9,19H2,1-3H3,(H,20,23,25).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 2.58, 7 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-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 24982475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).