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

C12H16BrN3O2 — CID 66309663

IUPAC2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1c(C)ncc(Br)c1=O)C1CC1
InChIInChI=1S/C12H16BrN3O2/c1-3-15(9-4-5-9)11(17)7-16-8(2)14-6-10(13)12(16)18/h6,9H,3-5,7H2,1-2H3
InChIKeyJAPXEJBCJJIQEN-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.33
Rot. Bonds4

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

2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide (PubChem CID 66309663) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
PubChem CID66309663
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1c(C)ncc(Br)c1=O)C1CC1
InChIInChI=1S/C12H16BrN3O2/c1-3-15(9-4-5-9)11(17)7-16-8(2)14-6-10(13)12(16)18/h6,9H,3-5,7H2,1-2H3
InChIKeyJAPXEJBCJJIQEN-UHFFFAOYSA-N
XLogP1.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.33
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-ethylacetamide?
The IUPAC name of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide (CID 66309663) is 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)Cn1c(C)ncc(Br)c1=O)C1CC1.
What is the InChIKey of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is JAPXEJBCJJIQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-3-15(9-4-5-9)11(17)7-16-8(2)14-6-10(13)12(16)18/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide?
2-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 314.18 g/mol, XLogP of 1.33, 4 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-ethylacetamide is sourced from PubChem (CID 66309663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).