2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide

C13H11Br2N3O2 — CID 66308143

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
SMILESCc1ncn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1Br
InChIInChI=1S/C13H11Br2N3O2/c1-8-12(15)13(20)18(7-16-8)6-11(19)17-10-4-2-9(14)3-5-10/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyHZMFPCGRIFPKBC-UHFFFAOYSA-N
MW401.06 g/mol
LogP2.72
Rot. Bonds3

About 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide (PubChem CID 66308143) has the molecular formula C13H11Br2N3O2 and a molecular weight of 401.06 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
PubChem CID66308143
Molecular FormulaC13H11Br2N3O2
Molecular Weight401.06 g/mol
Exact Mass398.92
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
SMILESCc1ncn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1Br
InChIInChI=1S/C13H11Br2N3O2/c1-8-12(15)13(20)18(7-16-8)6-11(19)17-10-4-2-9(14)3-5-10/h2-5,7H,6H2,1H3,(H,17,19)
InChIKeyHZMFPCGRIFPKBC-UHFFFAOYSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.06
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide (CID 66308143) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide is Cc1ncn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1Br.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
The InChIKey is HZMFPCGRIFPKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O2/c1-8-12(15)13(20)18(7-16-8)6-11(19)17-10-4-2-9(14)3-5-10/h2-5,7H,6H2,1H3,(H,17,19).
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide has a molecular weight of 401.06 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 66308143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).