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

C17H23BrN4O3S — CID 24686909

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Br)s2)c(=O)[nH]c1=O
InChIInChI=1S/C17H23BrN4O3S/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)
InChIKeyZDPOVNYCLHNZEQ-UHFFFAOYSA-N
MW443.37 g/mol
LogP3.05
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 24686909) has the molecular formula C17H23BrN4O3S and a molecular weight of 443.37 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID24686909
Molecular FormulaC17H23BrN4O3S
Molecular Weight443.37 g/mol
Exact Mass442.07
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Br)s2)c(=O)[nH]c1=O
InChIInChI=1S/C17H23BrN4O3S/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)
InChIKeyZDPOVNYCLHNZEQ-UHFFFAOYSA-N
XLogP3.05
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
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)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 55376996
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 55605234
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)-2-ethoxy-N-(2-methylpropyl)benzamide
CID 18084094
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 55339639
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-(2-methylpropyl)butanamide
CID 2393558

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide (CID 24686909) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(Br)s2)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)thiophene-2-carboxamide?
The InChIKey is ZDPOVNYCLHNZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O3S/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)thiophene-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 443.37 g/mol, XLogP of 3.05, 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)thiophene-2-carboxamide is sourced from PubChem (CID 24686909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).