3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide

C9H12BrN3O2 — CID 66311091

IUPAC3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
SMILESCc1ncn(CC(C)C(N)=O)c(=O)c1Br
InChIInChI=1S/C9H12BrN3O2/c1-5(8(11)14)3-13-4-12-6(2)7(10)9(13)15/h4-5H,3H2,1-2H3,(H2,11,14)
InChIKeyCTJZMHUZKKSASH-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.44
Rot. Bonds3

About 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide

3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide (PubChem CID 66311091) 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)-2-methylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
PubChem CID66311091
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
SMILESCc1ncn(CC(C)C(N)=O)c(=O)c1Br
InChIInChI=1S/C9H12BrN3O2/c1-5(8(11)14)3-13-4-12-6(2)7(10)9(13)15/h4-5H,3H2,1-2H3,(H2,11,14)
InChIKeyCTJZMHUZKKSASH-UHFFFAOYSA-N
XLogP0.44
TPSA77.98 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 ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide (CID 66311091) is 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide is Cc1ncn(CC(C)C(N)=O)c(=O)c1Br.
What is the InChIKey of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The InChIKey is CTJZMHUZKKSASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-5(8(11)14)3-13-4-12-6(2)7(10)9(13)15/h4-5H,3H2,1-2H3,(H2,11,14).
What are the key properties of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide?
3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide has a molecular weight of 274.12 g/mol, XLogP of 0.44, 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)-2-methylpropanamide is sourced from PubChem (CID 66311091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).