4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one

C18H20ClFN2O2S — CID 155567608

IUPAC4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1Cl
InChIInChI=1S/C18H20ClFN2O2S/c1-10-15(16(24-2)14-12(19)8-5-9-13(14)20)21-18(22-17(10)23)25-11-6-3-4-7-11/h5,8-9,11,16H,3-4,6-7H2,1-2H3,(H,21,22,23)
InChIKeySFYPFOCZLRYDBM-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.64
Rot. Bonds5

About 4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one

4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 155567608) has the molecular formula C18H20ClFN2O2S and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one
PubChem CID155567608
Molecular FormulaC18H20ClFN2O2S
Molecular Weight382.89 g/mol
Exact Mass382.09
IUPAC Name4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1Cl
InChIInChI=1S/C18H20ClFN2O2S/c1-10-15(16(24-2)14-12(19)8-5-9-13(14)20)21-18(22-17(10)23)25-11-6-3-4-7-11/h5,8-9,11,16H,3-4,6-7H2,1-2H3,(H,21,22,23)
InChIKeySFYPFOCZLRYDBM-UHFFFAOYSA-N
XLogP4.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one (CID 155567608) is 4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one is COC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1Cl.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is SFYPFOCZLRYDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2S/c1-10-15(16(24-2)14-12(19)8-5-9-13(14)20)21-18(22-17(10)23)25-11-6-3-4-7-11/h5,8-9,11,16H,3-4,6-7H2,1-2H3,(H,21,22,23).
What are the key properties of 4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one?
4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 382.89 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)-methoxymethyl]-2-cyclopentylsulfanyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 155567608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).