5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one

C12H17FN2O2 — CID 136983390

IUPAC5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(F)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H17FN2O2/c1-8-9(13)10(16)15-11(14-8)12(17-2)6-4-3-5-7-12/h3-7H2,1-2H3,(H,14,15,16)
InChIKeyQUMZYVWHNMJCHL-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.02
Rot. Bonds2

About 5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one

5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136983390) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136983390
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(F)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H17FN2O2/c1-8-9(13)10(16)15-11(14-8)12(17-2)6-4-3-5-7-12/h3-7H2,1-2H3,(H,14,15,16)
InChIKeyQUMZYVWHNMJCHL-UHFFFAOYSA-N
XLogP2.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287916
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-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963825
2-(1-ethoxy-4-methylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963826
5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963829
2-(1-ethoxycyclopentyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963830
2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963831
2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963832
2-(4-ethoxyoxan-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963833
5-fluoro-2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963834

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one (CID 136983390) is 5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one is COC1(c2nc(C)c(F)c(=O)[nH]2)CCCCC1.
What is the InChIKey of 5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QUMZYVWHNMJCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8-9(13)10(16)15-11(14-8)12(17-2)6-4-3-5-7-12/h3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 240.28 g/mol, XLogP of 2.02, 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-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136983390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).