2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide

C9H12BrN3O2 — CID 66308959

IUPAC2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCc1ncn(CC(=O)N(C)C)c(=O)c1Br
InChIInChI=1S/C9H12BrN3O2/c1-6-8(10)9(15)13(5-11-6)4-7(14)12(2)3/h5H,4H2,1-3H3
InChIKeyWRNZFEXKYRPGLA-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.40
Rot. Bonds2

About 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide

2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide (PubChem CID 66308959) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
PubChem CID66308959
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
SMILESCc1ncn(CC(=O)N(C)C)c(=O)c1Br
InChIInChI=1S/C9H12BrN3O2/c1-6-8(10)9(15)13(5-11-6)4-7(14)12(2)3/h5H,4H2,1-3H3
InChIKeyWRNZFEXKYRPGLA-UHFFFAOYSA-N
XLogP0.40
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.40
H-Bond Donors ≤ 50
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,N-dimethylacetamide?
The IUPAC name of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide (CID 66308959) is 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide is Cc1ncn(CC(=O)N(C)C)c(=O)c1Br.
What is the InChIKey of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
The InChIKey is WRNZFEXKYRPGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-6-8(10)9(15)13(5-11-6)4-7(14)12(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide?
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide has a molecular weight of 274.12 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 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,N-dimethylacetamide is sourced from PubChem (CID 66308959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).