5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one

C14H16BrN3O2 — CID 66309659

IUPAC5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
SMILESCOc1c(C)cnc(Cn2c(C)ncc(Br)c2=O)c1C
InChIInChI=1S/C14H16BrN3O2/c1-8-5-17-12(9(2)13(8)20-4)7-18-10(3)16-6-11(15)14(18)19/h5-6H,7H2,1-4H3
InChIKeyBLIHRPXMKOZRGS-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.38
Rot. Bonds3

About 5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one

5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one (PubChem CID 66309659) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
PubChem CID66309659
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
SMILESCOc1c(C)cnc(Cn2c(C)ncc(Br)c2=O)c1C
InChIInChI=1S/C14H16BrN3O2/c1-8-5-17-12(9(2)13(8)20-4)7-18-10(3)16-6-11(15)14(18)19/h5-6H,7H2,1-4H3
InChIKeyBLIHRPXMKOZRGS-UHFFFAOYSA-N
XLogP2.38
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one
CID 114581943
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 49466355
5-bromo-2-methyl-3-(2-methylpropyl)pyrimidin-4-one
CID 66309229
3-[(5-bromo-2-methyl-6-oxopyrimidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 66307777
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylpurin-8-one
CID 24784386
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one
CID 115679486
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-methyl-7-(4-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 53199651
5-bromo-3-[(2-methoxy-5-nitrophenyl)methyl]-2-methylpyrimidin-4-one
CID 66309020
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-one
CID 53201041
3-(aminomethyl)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyridin-2-one
CID 107017591
3-[(4-aminophenyl)methyl]-5-bromo-2-methylpyrimidin-4-one
CID 66310702
2,4,6-tribromo-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]aniline
CID 28992033

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one (CID 66309659) is 5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one is COc1c(C)cnc(Cn2c(C)ncc(Br)c2=O)c1C.
What is the InChIKey of 5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one?
The InChIKey is BLIHRPXMKOZRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-8-5-17-12(9(2)13(8)20-4)7-18-10(3)16-6-11(15)14(18)19/h5-6H,7H2,1-4H3.
What are the key properties of 5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one?
5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one has a molecular weight of 338.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 66309659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).