5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one

C13H19BrN2O2 — CID 116745480

IUPAC5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(Br)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H19BrN2O2/c1-2-18-11(9-6-4-3-5-7-9)12-15-8-10(14)13(17)16-12/h8-9,11H,2-7H2,1H3,(H,15,16,17)
InChIKeyRHCIETRSCZJPDT-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.19
Rot. Bonds4

About 5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one

5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 116745480) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
PubChem CID116745480
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(Br)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H19BrN2O2/c1-2-18-11(9-6-4-3-5-7-9)12-15-8-10(14)13(17)16-12/h8-9,11H,2-7H2,1H3,(H,15,16,17)
InChIKeyRHCIETRSCZJPDT-UHFFFAOYSA-N
XLogP3.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691238
2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 113559510
5-bromo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 113559573
5-bromo-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
CID 113559574
5-bromo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559575
2-[cyclohexyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 113559578
5-(chloromethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114205222
5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114207019
5-bromo-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705906
2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116744929
5-bromo-2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116745224
5-bromo-2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116745235

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one (CID 116745480) is 5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one is CCOC(c1ncc(Br)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is RHCIETRSCZJPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-18-11(9-6-4-3-5-7-9)12-15-8-10(14)13(17)16-12/h8-9,11H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 315.21 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 116745480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).