5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one

C15H23BrN2O2 — CID 136997911

IUPAC5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(C2CCCC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C15H23BrN2O2/c1-3-7-11(20-4-2)14-17-13(10-8-5-6-9-10)12(16)15(19)18-14/h10-11H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyANESEWZRSFDECG-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.07
Rot. Bonds6

About 5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one

5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one (PubChem CID 136997911) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
PubChem CID136997911
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OCC)c1nc(C2CCCC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C15H23BrN2O2/c1-3-7-11(20-4-2)14-17-13(10-8-5-6-9-10)12(16)15(19)18-14/h10-11H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyANESEWZRSFDECG-UHFFFAOYSA-N
XLogP4.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(1-ethoxybutyl)-4-propyl-1H-pyrimidin-6-one
CID 136997757
2-(1-ethoxybutyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136997664
2-(1-ethoxybutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116705682
5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997852
5-bromo-4-cyclopentyl-2-[(dimethylamino)methyl]-1H-pyrimidin-6-one
CID 136964464
5-bromo-4-cyclopropyl-2-(1-methoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 136997853
4-cyclopentyl-2-(1-ethoxypropyl)-1H-pyrimidin-6-one
CID 136983289
3-(1-ethoxybutyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965370
5-bromo-4-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842481
5-bromo-4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136964072
5-bromo-4-cyclopentyl-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729693
5-bromo-4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730223

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one (CID 136997911) is 5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one is CCCC(OCC)c1nc(C2CCCC2)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one?
The InChIKey is ANESEWZRSFDECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-3-7-11(20-4-2)14-17-13(10-8-5-6-9-10)12(16)15(19)18-14/h10-11H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one?
5-bromo-4-cyclopentyl-2-(1-ethoxybutyl)-1H-pyrimidin-6-one has a molecular weight of 343.27 g/mol, XLogP of 4.07, 6 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-(1-ethoxybutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136997911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).