4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol

C22H23N3O3 — CID 135491517

IUPAC4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCCC3)n2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-20-10-7-16(13-21(20)28-2)19-14-18(15-5-8-17(26)9-6-15)23-22(24-19)25-11-3-4-12-25/h5-10,13-14,26H,3-4,11-12H2,1-2H3
InChIKeyWOBIYGLPXLXUBD-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.13
Rot. Bonds5

About 4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol

4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol (PubChem CID 135491517) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol
PubChem CID135491517
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCCC3)n2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-20-10-7-16(13-21(20)28-2)19-14-18(15-5-8-17(26)9-6-15)23-22(24-19)25-11-3-4-12-25/h5-10,13-14,26H,3-4,11-12H2,1-2H3
InChIKeyWOBIYGLPXLXUBD-UHFFFAOYSA-N
XLogP4.13
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol?
The IUPAC name of 4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol (CID 135491517) is 4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol?
The canonical SMILES for 4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol is COc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCCC3)n2)cc1OC.
What is the InChIKey of 4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol?
The InChIKey is WOBIYGLPXLXUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-20-10-7-16(13-21(20)28-2)19-14-18(15-5-8-17(26)9-6-15)23-22(24-19)25-11-3-4-12-25/h5-10,13-14,26H,3-4,11-12H2,1-2H3.
What are the key properties of 4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol?
4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol has a molecular weight of 377.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-yl]phenol is sourced from PubChem (CID 135491517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).