3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

C11H14BrN3O2 — CID 66309238

IUPAC3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESCc1ncc(Br)c(=O)n1CCC(=O)NC1CC1
InChIInChI=1S/C11H14BrN3O2/c1-7-13-6-9(12)11(17)15(7)5-4-10(16)14-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,16)
InChIKeyDHNWLZUSZROIKT-UHFFFAOYSA-N
MW300.16 g/mol
LogP0.98
Rot. Bonds4

About 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (PubChem CID 66309238) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
PubChem CID66309238
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESCc1ncc(Br)c(=O)n1CCC(=O)NC1CC1
InChIInChI=1S/C11H14BrN3O2/c1-7-13-6-9(12)11(17)15(7)5-4-10(16)14-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,16)
InChIKeyDHNWLZUSZROIKT-UHFFFAOYSA-N
XLogP0.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The IUPAC name of 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (CID 66309238) is 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is Cc1ncc(Br)c(=O)n1CCC(=O)NC1CC1.
What is the InChIKey of 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The InChIKey is DHNWLZUSZROIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-7-13-6-9(12)11(17)15(7)5-4-10(16)14-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,16).
What are the key properties of 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide has a molecular weight of 300.16 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 66309238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).