5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one

C15H15ClF2N2O2 — CID 69366149

IUPAC5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1C(C)C
InChIInChI=1S/C15H15ClF2N2O2/c1-8(2)20-9(3)19-14(13(16)15(20)21)22-7-10-4-5-11(17)6-12(10)18/h4-6,8H,7H2,1-3H3
InChIKeyIITZIUQCHSKKFE-UHFFFAOYSA-N
MW328.75 g/mol
LogP3.64
Rot. Bonds4

About 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one

5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one (PubChem CID 69366149) has the molecular formula C15H15ClF2N2O2 and a molecular weight of 328.75 g/mol. Its IUPAC name is 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one
PubChem CID69366149
Molecular FormulaC15H15ClF2N2O2
Molecular Weight328.75 g/mol
Exact Mass328.08
IUPAC Name5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1C(C)C
InChIInChI=1S/C15H15ClF2N2O2/c1-8(2)20-9(3)19-14(13(16)15(20)21)22-7-10-4-5-11(17)6-12(10)18/h4-6,8H,7H2,1-3H3
InChIKeyIITZIUQCHSKKFE-UHFFFAOYSA-N
XLogP3.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 11516001
4-[5-Chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]oxybutanamide
CID 11531760
5-Chloro-6-[(2,4-difluorophenyl)methoxy]-2-(4-hydroxybutoxy)-3-propan-2-ylpyrimidin-4-one
CID 11589462
2-[5-Chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]oxyethylurea
CID 11596857
N-[2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]oxyethyl]acetamide
CID 11625832
N-[2-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]oxyethyl]methanesulfonamide
CID 11633824
2-But-3-enyl-5-chloro-6-[(2,4-difluorophenyl)methoxy]-3-propan-2-ylpyrimidin-4-one
CID 11660680
2-[[5-Chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethylurea
CID 11690187
(E)-4-[4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]but-2-enoic acid
CID 21089098
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 21089325
5-Chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 21089326
3-Cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one
CID 21089381

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one (CID 69366149) is 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one is Cc1nc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1C(C)C.
What is the InChIKey of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is IITZIUQCHSKKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O2/c1-8(2)20-9(3)19-14(13(16)15(20)21)22-7-10-4-5-11(17)6-12(10)18/h4-6,8H,7H2,1-3H3.
What are the key properties of 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one?
5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 328.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 69366149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).