5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one

C14H21FN2O2 — CID 136963839

IUPAC5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(F)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C14H21FN2O2/c1-9-10(15)11(18)17-12(16-9)14(19-4)7-5-13(2,3)6-8-14/h5-8H2,1-4H3,(H,16,17,18)
InChIKeyVXFQEUZIHBYKOM-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.66
Rot. Bonds2

About 5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one

5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963839) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136963839
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(F)c(=O)[nH]2)CCC(C)(C)CC1
InChIInChI=1S/C14H21FN2O2/c1-9-10(15)11(18)17-12(16-9)14(19-4)7-5-13(2,3)6-8-14/h5-8H2,1-4H3,(H,16,17,18)
InChIKeyVXFQEUZIHBYKOM-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773823
2-(1-ethoxy-3-methylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963823
5-fluoro-2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963824
2-(1-ethoxy-4-methylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963826
2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963832
5-fluoro-2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963834
2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963835
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963838
5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983390
2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136983392
5-fluoro-2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983393
4-hydroxy-2-(1-methoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 116745110

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one (CID 136963839) is 5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one is COC1(c2nc(C)c(F)c(=O)[nH]2)CCC(C)(C)CC1.
What is the InChIKey of 5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VXFQEUZIHBYKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9-10(15)11(18)17-12(16-9)14(19-4)7-5-13(2,3)6-8-14/h5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 268.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).