6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine

C24H29N3O5 — CID 11597347

IUPAC6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine
SMILESCCOc1nc(NCCc2ccc(OC)c(OC)c2)cc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C24H29N3O5/c1-6-32-24-26-18(17-8-10-20(29-3)22(14-17)31-5)15-23(27-24)25-12-11-16-7-9-19(28-2)21(13-16)30-4/h7-10,13-15H,6,11-12H2,1-5H3,(H,25,26,27)
InChIKeyBBOUWWHFYOBFNA-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.23
Rot. Bonds11

About 6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine

6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine (PubChem CID 11597347) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine
PubChem CID11597347
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine
SMILESCCOc1nc(NCCc2ccc(OC)c(OC)c2)cc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C24H29N3O5/c1-6-32-24-26-18(17-8-10-20(29-3)22(14-17)31-5)15-23(27-24)25-12-11-16-7-9-19(28-2)21(13-16)30-4/h7-10,13-15H,6,11-12H2,1-5H3,(H,25,26,27)
InChIKeyBBOUWWHFYOBFNA-UHFFFAOYSA-N
XLogP4.23
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine (CID 11597347) is 6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine is CCOc1nc(NCCc2ccc(OC)c(OC)c2)cc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine?
The InChIKey is BBOUWWHFYOBFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-6-32-24-26-18(17-8-10-20(29-3)22(14-17)31-5)15-23(27-24)25-12-11-16-7-9-19(28-2)21(13-16)30-4/h7-10,13-15H,6,11-12H2,1-5H3,(H,25,26,27).
What are the key properties of 6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine?
6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine has a molecular weight of 439.51 g/mol, XLogP of 4.23, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethoxypyrimidin-4-amine is sourced from PubChem (CID 11597347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).