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

C19H27BrN4O4 — CID 55605234

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2c(C)oc(C)c2Br)c(=O)[nH]c1=O
InChIInChI=1S/C19H27BrN4O4/c1-6-7-8-23-16(21)15(17(25)22-19(23)27)24(9-10(2)3)18(26)13-11(4)28-12(5)14(13)20/h10H,6-9,21H2,1-5H3,(H,22,25,27)
InChIKeyKHGBRTRBDQQMHB-UHFFFAOYSA-N
MW455.35 g/mol
LogP3.19
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide (PubChem CID 55605234) has the molecular formula C19H27BrN4O4 and a molecular weight of 455.35 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
PubChem CID55605234
Molecular FormulaC19H27BrN4O4
Molecular Weight455.35 g/mol
Exact Mass454.12
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2c(C)oc(C)c2Br)c(=O)[nH]c1=O
InChIInChI=1S/C19H27BrN4O4/c1-6-7-8-23-16(21)15(17(25)22-19(23)27)24(9-10(2)3)18(26)13-11(4)28-12(5)14(13)20/h10H,6-9,21H2,1-5H3,(H,22,25,27)
InChIKeyKHGBRTRBDQQMHB-UHFFFAOYSA-N
XLogP3.19
TPSA114.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 24686909
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide
CID 51153903
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3,5-bis(trifluoromethyl)benzamide
CID 26200722
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-(2-methylpropyl)butanamide
CID 2393558
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
CID 26185385
6-amino-1-butyl-5-[methyl(2-methylpropyl)amino]pyrimidine-2,4-dione
CID 47281812
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 55376996

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide (CID 55605234) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2c(C)oc(C)c2Br)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
The InChIKey is KHGBRTRBDQQMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN4O4/c1-6-7-8-23-16(21)15(17(25)22-19(23)27)24(9-10(2)3)18(26)13-11(4)28-12(5)14(13)20/h10H,6-9,21H2,1-5H3,(H,22,25,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide has a molecular weight of 455.35 g/mol, XLogP of 3.19, 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)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide is sourced from PubChem (CID 55605234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).