6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine

C15H19N3O2 — CID 80935957

IUPAC6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H19N3O2/c1-5-14-17-12(9-15(16-2)18-14)11-7-6-10(19-3)8-13(11)20-4/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyADZDJQNVZWRZDW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.76
Rot. Bonds5

About 6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine

6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80935957) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
PubChem CID80935957
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2ccc(OC)cc2OC)n1
InChIInChI=1S/C15H19N3O2/c1-5-14-17-12(9-15(16-2)18-14)11-7-6-10(19-3)8-13(11)20-4/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyADZDJQNVZWRZDW-UHFFFAOYSA-N
XLogP2.76
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine (CID 80935957) is 6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine is CCc1nc(NC)cc(-c2ccc(OC)cc2OC)n1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is ADZDJQNVZWRZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-5-14-17-12(9-15(16-2)18-14)11-7-6-10(19-3)8-13(11)20-4/h6-9H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80935957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).