5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one

C14H14BrFN2O2 — CID 136889677

IUPAC5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(-c2nc(C(C)C)c(Br)c(=O)[nH]2)ccc1F
InChIInChI=1S/C14H14BrFN2O2/c1-7(2)12-11(15)14(19)18-13(17-12)8-4-5-9(16)10(6-8)20-3/h4-7H,1-3H3,(H,17,18,19)
InChIKeyCTCDYSNWGBCTTC-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.47
Rot. Bonds3

About 5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one

5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136889677) has the molecular formula C14H14BrFN2O2 and a molecular weight of 341.18 g/mol. Its IUPAC name is 5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136889677
Molecular FormulaC14H14BrFN2O2
Molecular Weight341.18 g/mol
Exact Mass340.02
IUPAC Name5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(-c2nc(C(C)C)c(Br)c(=O)[nH]2)ccc1F
InChIInChI=1S/C14H14BrFN2O2/c1-7(2)12-11(15)14(19)18-13(17-12)8-4-5-9(16)10(6-8)20-3/h4-7H,1-3H3,(H,17,18,19)
InChIKeyCTCDYSNWGBCTTC-UHFFFAOYSA-N
XLogP3.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136938664
5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66311914
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136938663
2-(4-fluoro-3-methoxyphenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136889800
2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136889662
5-bromo-2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286164
5-bromo-2-(6-methoxy-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136831512
2-(4-fluoro-3-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136889663
8-(4-fluoro-3-methoxyphenyl)-3-methyl-7H-purine-2,6-dione
CID 115765308
2-(4-bromophenyl)-5-(4-fluoro-3-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 136642757
2-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 107923253
2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136889657

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136889677) is 5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one is COc1cc(-c2nc(C(C)C)c(Br)c(=O)[nH]2)ccc1F.
What is the InChIKey of 5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is CTCDYSNWGBCTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2/c1-7(2)12-11(15)14(19)18-13(17-12)8-4-5-9(16)10(6-8)20-3/h4-7H,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one?
5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 341.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136889677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).