5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one

C11H17FN2O2 — CID 136963829

IUPAC5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCC(CC)(OC)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C11H17FN2O2/c1-5-11(6-2,16-4)10-13-7(3)8(12)9(15)14-10/h5-6H2,1-4H3,(H,13,14,15)
InChIKeyWFOPIQRMZQNSHB-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.88
Rot. Bonds4

About 5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one

5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963829) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136963829
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCC(CC)(OC)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C11H17FN2O2/c1-5-11(6-2,16-4)10-13-7(3)8(12)9(15)14-10/h5-6H2,1-4H3,(H,13,14,15)
InChIKeyWFOPIQRMZQNSHB-UHFFFAOYSA-N
XLogP1.88
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(2-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136286916
5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773823
5-fluoro-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963827
2-(2-ethoxybutan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963828
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-(4-ethoxyoxan-4-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963833
2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136983233
5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983390
5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one
CID 136983391
2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136983392
5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one
CID 136997698

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one (CID 136963829) is 5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one is CCC(CC)(OC)c1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WFOPIQRMZQNSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-5-11(6-2,16-4)10-13-7(3)8(12)9(15)14-10/h5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 228.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).