4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline

C15H18BrN3O2 — CID 107571772

IUPAC4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline
SMILESCOc1ncnc(OC)c1CNc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H18BrN3O2/c1-9-5-11(6-10(2)13(9)16)17-7-12-14(20-3)18-8-19-15(12)21-4/h5-6,8,17H,7H2,1-4H3
InChIKeyVSAIJTFUXJWIEU-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.49
Rot. Bonds5

About 4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline

4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline (PubChem CID 107571772) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline
PubChem CID107571772
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline
SMILESCOc1ncnc(OC)c1CNc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H18BrN3O2/c1-9-5-11(6-10(2)13(9)16)17-7-12-14(20-3)18-8-19-15(12)21-4/h5-6,8,17H,7H2,1-4H3
InChIKeyVSAIJTFUXJWIEU-UHFFFAOYSA-N
XLogP3.49
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline 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

3-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-5-methoxyaniline
CID 82860183
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,4,5-trifluoroaniline
CID 62809831
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-fluoro-4-methylaniline
CID 43552216
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,3-dimethylaniline
CID 43552231
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-benzothiophen-5-amine
CID 43687800
2-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-6-fluoroaniline
CID 107597882
4-bromo-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 103579715
4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline
CID 107571721
1-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2-methylpropan-2-ol
CID 65103677
6-(4-bromo-3,5-dimethylphenoxy)-N-ethyl-5-methoxypyrimidin-4-amine
CID 107727389
4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline
CID 107572070
N-benzyl-4-bromo-3,5-dimethylaniline
CID 107572244

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline?
The IUPAC name of 4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline (CID 107571772) is 4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline?
The canonical SMILES for 4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline is COc1ncnc(OC)c1CNc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline?
The InChIKey is VSAIJTFUXJWIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-9-5-11(6-10(2)13(9)16)17-7-12-14(20-3)18-8-19-15(12)21-4/h5-6,8,17H,7H2,1-4H3.
What are the key properties of 4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline?
4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline has a molecular weight of 352.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 107571772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).