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

C8H10BrN3O2 — CID 66310039

IUPAC3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1ncn(CCC(N)=O)c(=O)c1Br
InChIInChI=1S/C8H10BrN3O2/c1-5-7(9)8(14)12(4-11-5)3-2-6(10)13/h4H,2-3H2,1H3,(H2,10,13)
InChIKeyMPPGSPXZPVXCHT-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.19
Rot. Bonds3

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

3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 66310039) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID66310039
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1ncn(CCC(N)=O)c(=O)c1Br
InChIInChI=1S/C8H10BrN3O2/c1-5-7(9)8(14)12(4-11-5)3-2-6(10)13/h4H,2-3H2,1H3,(H2,10,13)
InChIKeyMPPGSPXZPVXCHT-UHFFFAOYSA-N
XLogP0.19
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.19
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)propanamide?
The IUPAC name of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide (CID 66310039) is 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide is Cc1ncn(CCC(N)=O)c(=O)c1Br.
What is the InChIKey of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is MPPGSPXZPVXCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c1-5-7(9)8(14)12(4-11-5)3-2-6(10)13/h4H,2-3H2,1H3,(H2,10,13).
What are the key properties of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide?
3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 260.09 g/mol, XLogP of 0.19, 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)propanamide is sourced from PubChem (CID 66310039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).