5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one

C13H19BrN2O3 — CID 116745222

IUPAC5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(Br)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C13H19BrN2O3/c1-3-19-13(6-4-5-8(2)7-13)12-15-10(17)9(14)11(18)16-12/h8H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyBDQJKPBKORGPPI-UHFFFAOYSA-N
MW331.21 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one

5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116745222) has the molecular formula C13H19BrN2O3 and a molecular weight of 331.21 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116745222
Molecular FormulaC13H19BrN2O3
Molecular Weight331.21 g/mol
Exact Mass330.06
IUPAC Name5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(Br)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C13H19BrN2O3/c1-3-19-13(6-4-5-8(2)7-13)12-15-10(17)9(14)11(18)16-12/h8H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyBDQJKPBKORGPPI-UHFFFAOYSA-N
XLogP2.68
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80689849
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559530
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559538
5-bromo-2-(1-ethoxycyclopentyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559550
5-bromo-2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559551
4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116745106
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745111
2-(1-ethoxy-4-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745114
2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 116745127
5-ethyl-4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116745139
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 116745145

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one (CID 116745222) is 5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one is CCOC1(c2nc(O)c(Br)c(=O)[nH]2)CCCC(C)C1.
What is the InChIKey of 5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BDQJKPBKORGPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3/c1-3-19-13(6-4-5-8(2)7-13)12-15-10(17)9(14)11(18)16-12/h8H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 331.21 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116745222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).