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

C12H17BrN2O2 — CID 116745492

IUPAC5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1ncc(Br)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C12H17BrN2O2/c1-17-10(8-5-3-2-4-6-8)11-14-7-9(13)12(16)15-11/h7-8,10H,2-6H2,1H3,(H,14,15,16)
InChIKeyRWCLKKRZDZHRQH-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.80
Rot. Bonds3

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

5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 116745492) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID116745492
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1ncc(Br)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C12H17BrN2O2/c1-17-10(8-5-3-2-4-6-8)11-14-7-9(13)12(16)15-11/h7-8,10H,2-6H2,1H3,(H,14,15,16)
InChIKeyRWCLKKRZDZHRQH-UHFFFAOYSA-N
XLogP2.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-bromo-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559577
2-[cyclohexyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 113559578
5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114207019
5-bromo-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116705914
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
5-bromo-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116745479

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 116745492) is 5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1ncc(Br)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is RWCLKKRZDZHRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-17-10(8-5-3-2-4-6-8)11-14-7-9(13)12(16)15-11/h7-8,10H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 301.18 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 116745492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).