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

C10H13FN2O2 — CID 136997698

IUPAC5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(F)c(=O)[nH]2)CCC1
InChIInChI=1S/C10H13FN2O2/c1-6-7(11)8(14)13-9(12-6)10(15-2)4-3-5-10/h3-5H2,1-2H3,(H,12,13,14)
InChIKeyWKDNGXDRFXWVRX-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.24
Rot. Bonds2

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

5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997698) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136997698
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(F)c(=O)[nH]2)CCC1
InChIInChI=1S/C10H13FN2O2/c1-6-7(11)8(14)13-9(12-6)10(15-2)4-3-5-10/h3-5H2,1-2H3,(H,12,13,14)
InChIKeyWKDNGXDRFXWVRX-UHFFFAOYSA-N
XLogP1.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.24
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-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
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-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963831
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-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997697

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one (CID 136997698) is 5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one is COC1(c2nc(C)c(F)c(=O)[nH]2)CCC1.
What is the InChIKey of 5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WKDNGXDRFXWVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6-7(11)8(14)13-9(12-6)10(15-2)4-3-5-10/h3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 212.22 g/mol, XLogP of 1.24, 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-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).