4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine

C13H14BrN3O2 — CID 103524050

IUPAC4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2ccc(OC)c(Br)c2OC)n1
InChIInChI=1S/C13H14BrN3O2/c1-15-13-16-7-6-9(17-13)8-4-5-10(18-2)11(14)12(8)19-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyDYIZQORPQMWFLL-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.96
Rot. Bonds4

About 4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine

4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine (PubChem CID 103524050) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine
PubChem CID103524050
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2ccc(OC)c(Br)c2OC)n1
InChIInChI=1S/C13H14BrN3O2/c1-15-13-16-7-6-9(17-13)8-4-5-10(18-2)11(14)12(8)19-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyDYIZQORPQMWFLL-UHFFFAOYSA-N
XLogP2.96
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxy-3-methylphenyl)-N-methylpyrimidin-2-amine
CID 116900544
2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine
CID 103523994
4-methoxy-3-[2-(methylamino)pyrimidin-4-yl]benzonitrile
CID 106951518
[4-(4-methoxy-2,3-dimethylphenyl)pyrimidin-2-yl]hydrazine
CID 116904156
4-(2-bromophenyl)-N-methylpyrimidin-2-amine
CID 63548579
2-(3-bromo-2,4-dimethoxyphenyl)-N-propylpyridin-4-amine
CID 103524034
6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 103524053
6-(3-bromo-2,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine
CID 103524051
4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 103524072
4-(2-ethoxyphenyl)-N-methylpyrimidin-2-amine
CID 63547712
4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 103417160
5-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyridin-2-amine
CID 103523655

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine (CID 103524050) is 4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine is CNc1nccc(-c2ccc(OC)c(Br)c2OC)n1.
What is the InChIKey of 4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine?
The InChIKey is DYIZQORPQMWFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-15-13-16-7-6-9(17-13)8-4-5-10(18-2)11(14)12(8)19-3/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine?
4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine has a molecular weight of 324.18 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 103524050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).