5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one

C12H17BrN2O2 — CID 116745491

IUPAC5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(Br)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C12H17BrN2O2/c1-8-4-3-5-12(6-8,17-2)11-14-7-9(13)10(16)15-11/h7-8H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyFKYGOLNOTAFCKK-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.58
Rot. Bonds2

About 5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one

5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 116745491) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID116745491
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(Br)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C12H17BrN2O2/c1-8-4-3-5-12(6-8,17-2)11-14-7-9(13)10(16)15-11/h7-8H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyFKYGOLNOTAFCKK-UHFFFAOYSA-N
XLogP2.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.58
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
5-bromo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609933
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
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559580
5-(aminomethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113563478
5-(bromomethyl)-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114205562
5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114206995
5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114207002
2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744914

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one (CID 116745491) is 5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one is COC1(c2ncc(Br)c(=O)[nH]2)CCCC(C)C1.
What is the InChIKey of 5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is FKYGOLNOTAFCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8-4-3-5-12(6-8,17-2)11-14-7-9(13)10(16)15-11/h7-8H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 301.18 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).