5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one

C13H20BrN3O — CID 136729637

IUPAC5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one
SMILESCN(C)CCc1nc(C2CCCC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C13H20BrN3O/c1-17(2)8-7-10-15-12(9-5-3-4-6-9)11(14)13(18)16-10/h9H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyMHONMKMGHRSKOT-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.29
Rot. Bonds4

About 5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one

5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 136729637) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID136729637
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one
SMILESCN(C)CCc1nc(C2CCCC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C13H20BrN3O/c1-17(2)8-7-10-15-12(9-5-3-4-6-9)11(14)13(18)16-10/h9H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyMHONMKMGHRSKOT-UHFFFAOYSA-N
XLogP2.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one (CID 136729637) is 5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one is CN(C)CCc1nc(C2CCCC2)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is MHONMKMGHRSKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-17(2)8-7-10-15-12(9-5-3-4-6-9)11(14)13(18)16-10/h9H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of 5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one?
5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 314.23 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136729637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).