3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide

C9H12BrN3O2 — CID 66308140

IUPAC3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-6-8(10)9(15)13(5-12-6)4-3-7(14)11-2/h5H,3-4H2,1-2H3,(H,11,14)
InChIKeyHQCFZUVDOJLBRB-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.45
Rot. Bonds3

About 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide

3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide (PubChem CID 66308140) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
PubChem CID66308140
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1cnc(C)c(Br)c1=O
InChIInChI=1S/C9H12BrN3O2/c1-6-8(10)9(15)13(5-12-6)4-3-7(14)11-2/h5H,3-4H2,1-2H3,(H,11,14)
InChIKeyHQCFZUVDOJLBRB-UHFFFAOYSA-N
XLogP0.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 66310054
5-bromo-3-(2-bromoethyl)-6-methylpyrimidin-4-one
CID 66310232
5-bromo-6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one
CID 66310691
N-methyl-3-(3-methyl-2-oxopyrazin-1-yl)propanamide
CID 130571190
5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one
CID 66311093
5-bromo-3-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309605
5-bromo-3-(2-cyclopropylethyl)-6-methylpyrimidin-4-one
CID 66307921
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66309630
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 66308143
5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one
CID 106439728
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 66307930
N-benzyl-2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66309191

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide (CID 66308140) is 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide is CNC(=O)CCn1cnc(C)c(Br)c1=O.
What is the InChIKey of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
The InChIKey is HQCFZUVDOJLBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-6-8(10)9(15)13(5-12-6)4-3-7(14)11-2/h5H,3-4H2,1-2H3,(H,11,14).
What are the key properties of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide?
3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide has a molecular weight of 274.12 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 66308140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).