5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one

C12H12BrN3O — CID 66309458

IUPAC5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CCc1ccncc1
InChIInChI=1S/C12H12BrN3O/c1-9-15-8-11(13)12(17)16(9)7-4-10-2-5-14-6-3-10/h2-3,5-6,8H,4,7H2,1H3
InChIKeyHYNLTDATIOOQNE-UHFFFAOYSA-N
MW294.15 g/mol
LogP1.95
Rot. Bonds3

About 5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one

5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one (PubChem CID 66309458) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
PubChem CID66309458
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CCc1ccncc1
InChIInChI=1S/C12H12BrN3O/c1-9-15-8-11(13)12(17)16(9)7-4-10-2-5-14-6-3-10/h2-3,5-6,8H,4,7H2,1H3
InChIKeyHYNLTDATIOOQNE-UHFFFAOYSA-N
XLogP1.95
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-one
CID 66310934
3-[2-(2-aminophenyl)ethyl]-5-bromo-2-methylpyrimidin-4-one
CID 66309851
5-bromo-2-methyl-3-(9-sulfanylnonyl)pyrimidin-4-one
CID 105344641
3-(5-bromo-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66310297
3-[(4-aminophenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66310702
5-bromo-3-[2-(tert-butylamino)ethyl]-2-methylpyrimidin-4-one
CID 66310310
5-bromo-2-methyl-3-[2-oxo-2-(4-propylphenyl)ethyl]pyrimidin-4-one
CID 66310738
5-bromo-2-methyl-3-[2-(4-methylanilino)ethyl]pyrimidin-4-one
CID 66310749
5-bromo-2-methyl-3-(2-methylpropyl)pyrimidin-4-one
CID 66309229
5-bromo-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylpyrimidin-4-one
CID 104565670
5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one
CID 66310095
(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl-trifluoroboranuide
CID 66307791

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one (CID 66309458) is 5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one is Cc1ncc(Br)c(=O)n1CCc1ccncc1.
What is the InChIKey of 5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one?
The InChIKey is HYNLTDATIOOQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-9-15-8-11(13)12(17)16(9)7-4-10-2-5-14-6-3-10/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one?
5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one has a molecular weight of 294.15 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(2-pyridin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66309458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).