3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol

C20H20N4O2 — CID 52942609

IUPAC3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol
SMILESOc1cccc(-c2cc(Nc3ccccc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H20N4O2/c25-17-8-4-5-15(13-17)18-14-19(21-16-6-2-1-3-7-16)23-20(22-18)24-9-11-26-12-10-24/h1-8,13-14,25H,9-12H2,(H,21,22,23)
InChIKeyGJCLRVMQDLQZQB-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.43
Rot. Bonds4

About 3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol

3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol (PubChem CID 52942609) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol.

Molecular Properties

Compound Name3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol
PubChem CID52942609
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol
SMILESOc1cccc(-c2cc(Nc3ccccc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H20N4O2/c25-17-8-4-5-15(13-17)18-14-19(21-16-6-2-1-3-7-16)23-20(22-18)24-9-11-26-12-10-24/h1-8,13-14,25H,9-12H2,(H,21,22,23)
InChIKeyGJCLRVMQDLQZQB-UHFFFAOYSA-N
XLogP3.43
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(6-anilino-2-morpholin-4-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 3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol?
The IUPAC name of 3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol (CID 52942609) is 3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol.
What is the SMILES notation for 3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol?
The canonical SMILES for 3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol is Oc1cccc(-c2cc(Nc3ccccc3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol?
The InChIKey is GJCLRVMQDLQZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-17-8-4-5-15(13-17)18-14-19(21-16-6-2-1-3-7-16)23-20(22-18)24-9-11-26-12-10-24/h1-8,13-14,25H,9-12H2,(H,21,22,23).
What are the key properties of 3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol?
3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol has a molecular weight of 348.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-anilino-2-morpholin-4-ylpyrimidin-4-yl)phenol is sourced from PubChem (CID 52942609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).