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

C12H19FN2O2 — CID 136963831

IUPAC2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(CC)(CC)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C12H19FN2O2/c1-5-12(6-2,17-7-3)11-14-8(4)9(13)10(16)15-11/h5-7H2,1-4H3,(H,14,15,16)
InChIKeyBPLOWSSJUHAHCQ-UHFFFAOYSA-N
MW242.29 g/mol
LogP2.27
Rot. Bonds5

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

2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963831) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136963831
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(CC)(CC)c1nc(C)c(F)c(=O)[nH]1
InChIInChI=1S/C12H19FN2O2/c1-5-12(6-2,17-7-3)11-14-8(4)9(13)10(16)15-11/h5-7H2,1-4H3,(H,14,15,16)
InChIKeyBPLOWSSJUHAHCQ-UHFFFAOYSA-N
XLogP2.27
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228728
5-fluoro-2-(2-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136286916
5-fluoro-4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287916
5-fluoro-4-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136297961
5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773823
2-(1-ethoxy-4-methylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963826
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
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136963831) is 2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCOC(CC)(CC)c1nc(C)c(F)c(=O)[nH]1.
What is the InChIKey of 2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BPLOWSSJUHAHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-5-12(6-2,17-7-3)11-14-8(4)9(13)10(16)15-11/h5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 242.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).