5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide

C12H12BrN3O3 — CID 71795136

IUPAC5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2ccc(Br)o2)cn1
InChIInChI=1S/C12H12BrN3O3/c1-8-6-11(17)16(7-15-8)5-4-14-12(18)9-2-3-10(13)19-9/h2-3,6-7H,4-5H2,1H3,(H,14,18)
InChIKeyLOXLLHHNMLBNBK-UHFFFAOYSA-N
MW326.15 g/mol
LogP1.34
Rot. Bonds4

About 5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide (PubChem CID 71795136) has the molecular formula C12H12BrN3O3 and a molecular weight of 326.15 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide
PubChem CID71795136
Molecular FormulaC12H12BrN3O3
Molecular Weight326.15 g/mol
Exact Mass325.01
IUPAC Name5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(=O)n(CCNC(=O)c2ccc(Br)o2)cn1
InChIInChI=1S/C12H12BrN3O3/c1-8-6-11(17)16(7-15-8)5-4-14-12(18)9-2-3-10(13)19-9/h2-3,6-7H,4-5H2,1H3,(H,14,18)
InChIKeyLOXLLHHNMLBNBK-UHFFFAOYSA-N
XLogP1.34
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-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 5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide (CID 71795136) is 5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide is Cc1cc(=O)n(CCNC(=O)c2ccc(Br)o2)cn1.
What is the InChIKey of 5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is LOXLLHHNMLBNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3/c1-8-6-11(17)16(7-15-8)5-4-14-12(18)9-2-3-10(13)19-9/h2-3,6-7H,4-5H2,1H3,(H,14,18).
What are the key properties of 5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 326.15 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 71795136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).