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

C17H22Br2N4O3S — CID 25102362

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(Br)c(Br)s2)c(=O)[nH]c1=O
InChIInChI=1S/C17H22Br2N4O3S/c1-4-5-6-22-14(20)12(15(24)21-17(22)26)23(8-9(2)3)16(25)11-7-10(18)13(19)27-11/h7,9H,4-6,8,20H2,1-3H3,(H,21,24,26)
InChIKeyQTUNUOWFERWLKC-UHFFFAOYSA-N
MW522.26 g/mol
LogP3.81
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 25102362) has the molecular formula C17H22Br2N4O3S and a molecular weight of 522.26 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID25102362
Molecular FormulaC17H22Br2N4O3S
Molecular Weight522.26 g/mol
Exact Mass519.98
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(Br)c(Br)s2)c(=O)[nH]c1=O
InChIInChI=1S/C17H22Br2N4O3S/c1-4-5-6-22-14(20)12(15(24)21-17(22)26)23(8-9(2)3)16(25)11-7-10(18)13(19)27-11/h7,9H,4-6,8,20H2,1-3H3,(H,21,24,26)
InChIKeyQTUNUOWFERWLKC-UHFFFAOYSA-N
XLogP3.81
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.26
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide (CID 25102362) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(Br)c(Br)s2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is QTUNUOWFERWLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Br2N4O3S/c1-4-5-6-22-14(20)12(15(24)21-17(22)26)23(8-9(2)3)16(25)11-7-10(18)13(19)27-11/h7,9H,4-6,8,20H2,1-3H3,(H,21,24,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 522.26 g/mol, XLogP of 3.81, 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)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 25102362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).