2-benzyl-5-bromo-4,6-dimethoxypyrimidine

C13H13BrN2O2 — CID 165347996

IUPAC2-benzyl-5-bromo-4,6-dimethoxypyrimidine
SMILESCOc1nc(Cc2ccccc2)nc(OC)c1Br
InChIInChI=1S/C13H13BrN2O2/c1-17-12-11(14)13(18-2)16-10(15-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyFKAVDKGSFHBVEM-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.85
Rot. Bonds4

About 2-benzyl-5-bromo-4,6-dimethoxypyrimidine

2-benzyl-5-bromo-4,6-dimethoxypyrimidine (PubChem CID 165347996) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-benzyl-5-bromo-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-benzyl-5-bromo-4,6-dimethoxypyrimidine
PubChem CID165347996
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-benzyl-5-bromo-4,6-dimethoxypyrimidine
SMILESCOc1nc(Cc2ccccc2)nc(OC)c1Br
InChIInChI=1S/C13H13BrN2O2/c1-17-12-11(14)13(18-2)16-10(15-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyFKAVDKGSFHBVEM-UHFFFAOYSA-N
XLogP2.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-5-bromo-4,6-dimethoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-4,6-dimethyl-1,3,5-triazine
CID 118594943
2-benzyl-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117130281
2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
CID 66300487
2-benzyl-4-methoxy-8-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 152635319
benzylbenzene;methoxymethane
CID 161110966
3-benzyl-6-bromo-4-chloro-2-methoxyquinoline
CID 59766854
benzylbenzene;ethane;methoxymethane
CID 159187560
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 28916465
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 58321884
5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
CID 2223258

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-bromo-4,6-dimethoxypyrimidine?
The IUPAC name of 2-benzyl-5-bromo-4,6-dimethoxypyrimidine (CID 165347996) is 2-benzyl-5-bromo-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-benzyl-5-bromo-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-benzyl-5-bromo-4,6-dimethoxypyrimidine is COc1nc(Cc2ccccc2)nc(OC)c1Br.
What is the InChIKey of 2-benzyl-5-bromo-4,6-dimethoxypyrimidine?
The InChIKey is FKAVDKGSFHBVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-17-12-11(14)13(18-2)16-10(15-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 2-benzyl-5-bromo-4,6-dimethoxypyrimidine?
2-benzyl-5-bromo-4,6-dimethoxypyrimidine has a molecular weight of 309.16 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-bromo-4,6-dimethoxypyrimidine is sourced from PubChem (CID 165347996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).