2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide

C11H14BrN3O2 — CID 66310088

IUPAC2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCc1ncc(Br)c(=O)n1CC(=O)N(C)C1CC1
InChIInChI=1S/C11H14BrN3O2/c1-7-13-5-9(12)11(17)15(7)6-10(16)14(2)8-3-4-8/h5,8H,3-4,6H2,1-2H3
InChIKeyPQUZPZSVSAVTMY-UHFFFAOYSA-N
MW300.16 g/mol
LogP0.94
Rot. Bonds3

About 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide

2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide (PubChem CID 66310088) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
PubChem CID66310088
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCc1ncc(Br)c(=O)n1CC(=O)N(C)C1CC1
InChIInChI=1S/C11H14BrN3O2/c1-7-13-5-9(12)11(17)15(7)6-10(16)14(2)8-3-4-8/h5,8H,3-4,6H2,1-2H3
InChIKeyPQUZPZSVSAVTMY-UHFFFAOYSA-N
XLogP0.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide (CID 66310088) is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide is Cc1ncc(Br)c(=O)n1CC(=O)N(C)C1CC1.
What is the InChIKey of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is PQUZPZSVSAVTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-7-13-5-9(12)11(17)15(7)6-10(16)14(2)8-3-4-8/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 300.16 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 66310088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).