2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

C14H15BrN2O2 — CID 136774553

IUPAC2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cc(OC)ccc2Br)[nH]c(=O)c1C
InChIInChI=1S/C14H15BrN2O2/c1-4-12-8(2)14(18)17-13(16-12)10-7-9(19-3)5-6-11(10)15/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyYNQFIYFTNYQOKB-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.08
Rot. Bonds3

About 2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 136774553) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
PubChem CID136774553
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cc(OC)ccc2Br)[nH]c(=O)c1C
InChIInChI=1S/C14H15BrN2O2/c1-4-12-8(2)14(18)17-13(16-12)10-7-9(19-3)5-6-11(10)15/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyYNQFIYFTNYQOKB-UHFFFAOYSA-N
XLogP3.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774563
2-(2-bromo-5-methoxyphenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136774541
2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774549
2-(2-bromo-5-methoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82946953
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147
2-(2-bromo-5-methoxyphenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136774571
2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136775571
2-(2-bromo-5-methoxyphenyl)-1H-imidazole
CID 91367579
2-(4-bromo-2-methylphenyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136980706
5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136696956
2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720650
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (CID 136774553) is 2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one is CCc1nc(-c2cc(OC)ccc2Br)[nH]c(=O)c1C.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is YNQFIYFTNYQOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-4-12-8(2)14(18)17-13(16-12)10-7-9(19-3)5-6-11(10)15/h5-7H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 323.19 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136774553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).