5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one

C11H12BrN3O2 — CID 66309234

IUPAC5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one
SMILESCc1noc(C)c1Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C11H12BrN3O2/c1-6-9(7(2)17-14-6)5-15-8(3)13-4-10(12)11(15)16/h4H,5H2,1-3H3
InChIKeyHCVOMVNOVNEYMQ-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.97
Rot. Bonds2

About 5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one

5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one (PubChem CID 66309234) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one
PubChem CID66309234
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one
SMILESCc1noc(C)c1Cn1c(C)ncc(Br)c1=O
InChIInChI=1S/C11H12BrN3O2/c1-6-9(7(2)17-14-6)5-15-8(3)13-4-10(12)11(15)16/h4H,5H2,1-3H3
InChIKeyHCVOMVNOVNEYMQ-UHFFFAOYSA-N
XLogP1.97
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one
CID 66308590
5-bromo-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-one
CID 66310710
5-bromo-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methylpyrimidin-4-one
CID 66310719
3-[(4-aminophenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66310702
5-bromo-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 66310730
5-[(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl]furan-3-carboxylic acid
CID 66307957
2-[(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl]benzonitrile
CID 66309231
2-[(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl]benzoic acid
CID 66309852
5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 66309659
5-bromo-3-(2-cyclopropylethyl)-2-methylpyrimidin-4-one
CID 66310504
5-bromo-2-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 66307969
5-bromo-3-[2-(tert-butylamino)ethyl]-2-methylpyrimidin-4-one
CID 66310310

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one (CID 66309234) is 5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one is Cc1noc(C)c1Cn1c(C)ncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one?
The InChIKey is HCVOMVNOVNEYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-6-9(7(2)17-14-6)5-15-8(3)13-4-10(12)11(15)16/h4H,5H2,1-3H3.
What are the key properties of 5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one?
5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one has a molecular weight of 298.14 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 66309234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).