6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine

C15H18BrN3O2 — CID 103524053

IUPAC6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(-c2ccc(OC)c(Br)c2OC)c1C
InChIInChI=1S/C15H18BrN3O2/c1-8-13(18-9(2)19-15(8)17-3)10-6-7-11(20-4)12(16)14(10)21-5/h6-7H,1-5H3,(H,17,18,19)
InChIKeyVUGGGRQKPIISIR-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.58
Rot. Bonds4

About 6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine

6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 103524053) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID103524053
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(-c2ccc(OC)c(Br)c2OC)c1C
InChIInChI=1S/C15H18BrN3O2/c1-8-13(18-9(2)19-15(8)17-3)10-6-7-11(20-4)12(16)14(10)21-5/h6-7H,1-5H3,(H,17,18,19)
InChIKeyVUGGGRQKPIISIR-UHFFFAOYSA-N
XLogP3.58
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-bromo-2,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine
CID 103524051
4-(3-bromo-2,4-dimethoxyphenyl)-N-methylpyrimidin-2-amine
CID 103524050
6-(4-chloro-3-methoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 79712175
5-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyridin-2-amine
CID 103523655
4-(2,4-dimethoxy-3-methylphenyl)-2,6-dimethylpyrimidin-5-amine
CID 96669062
2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine
CID 103523989
6-(3-methoxypyrazin-2-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 104516628
N,2,5-trimethyl-6-(2,4,5-trifluorophenyl)pyrimidin-4-amine
CID 115503288
4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 103524072
4-N-(3-fluoro-4-methoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80778681
4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 103524033
6-(2,3-dimethoxyphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 82793961

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine (CID 103524053) is 6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(-c2ccc(OC)c(Br)c2OC)c1C.
What is the InChIKey of 6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is VUGGGRQKPIISIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-8-13(18-9(2)19-15(8)17-3)10-6-7-11(20-4)12(16)14(10)21-5/h6-7H,1-5H3,(H,17,18,19).
What are the key properties of 6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine?
6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 352.23 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 103524053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).