5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one

C12H11BrN2O2 — CID 21090152

IUPAC5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one
SMILESCn1cnc(OCc2ccccc2)c(Br)c1=O
InChIInChI=1S/C12H11BrN2O2/c1-15-8-14-11(10(13)12(15)16)17-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyUZEABGZQLZTWJS-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.12
Rot. Bonds3

About 5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one

5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one (PubChem CID 21090152) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one
PubChem CID21090152
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one
SMILESCn1cnc(OCc2ccccc2)c(Br)c1=O
InChIInChI=1S/C12H11BrN2O2/c1-15-8-14-11(10(13)12(15)16)17-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyUZEABGZQLZTWJS-UHFFFAOYSA-N
XLogP2.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-[(4-bromophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090138
5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090133
4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide
CID 21089386
N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride
CID 21090232
5-bromo-6-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
CID 21089612
3-[(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)methyl]piperidine-1-carboxylic acid
CID 174525193
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
tert-butyl 3-[(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)methyl]piperidine-1-carboxylate
CID 21090320
3-[[3-(aminomethyl)phenyl]methyl]-5-bromo-6-[(4-fluorophenyl)methoxy]pyrimidin-4-one
CID 21089181
4-iodo-1-methyl-3-phenylmethoxypyrazole
CID 70813033
methyl 2-[[5-bromo-4-[(4-fluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]benzoate
CID 21090181
6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine
CID 20820677

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one?
The IUPAC name of 5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one (CID 21090152) is 5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one?
The canonical SMILES for 5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one is Cn1cnc(OCc2ccccc2)c(Br)c1=O.
What is the InChIKey of 5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one?
The InChIKey is UZEABGZQLZTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-15-8-14-11(10(13)12(15)16)17-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one?
5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one has a molecular weight of 295.14 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one is sourced from PubChem (CID 21090152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).