5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one

C15H17BrN2O2 — CID 136696956

IUPAC5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccc(C)cc2OC)[nH]c(=O)c1Br
InChIInChI=1S/C15H17BrN2O2/c1-4-5-11-13(16)15(19)18-14(17-11)10-7-6-9(2)8-12(10)20-3/h6-8H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyQMXWOUJJSLWXOH-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.47
Rot. Bonds4

About 5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one

5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136696956) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136696956
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccc(C)cc2OC)[nH]c(=O)c1Br
InChIInChI=1S/C15H17BrN2O2/c1-4-5-11-13(16)15(19)18-14(17-11)10-7-6-9(2)8-12(10)20-3/h6-8H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyQMXWOUJJSLWXOH-UHFFFAOYSA-N
XLogP3.47
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136696949
4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one
CID 136696967
5-bromo-2-(4-chloro-2-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106819074
5-ethyl-2-(2-methoxy-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106794207
2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106794205
5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774563
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055
2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136774553
2-(2-methoxy-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 106793002
5-bromo-2-(2,5-dichlorophenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136877789
5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136980758

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one (CID 136696956) is 5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2ccc(C)cc2OC)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is QMXWOUJJSLWXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-4-5-11-13(16)15(19)18-14(17-11)10-7-6-9(2)8-12(10)20-3/h6-8H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one?
5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 337.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136696956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).