2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol

C33H34N6O — CID 18767359

IUPAC2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol
SMILESCc1cc(C(N)(Cc2ccccn2)Cc2ccccn2)c(O)c(C(N)(Cc2ccccn2)Cc2ccccn2)c1
InChIInChI=1S/C33H34N6O/c1-24-18-29(32(34,20-25-10-2-6-14-36-25)21-26-11-3-7-15-37-26)31(40)30(19-24)33(35,22-27-12-4-8-16-38-27)23-28-13-5-9-17-39-28/h2-19,40H,20-23,34-35H2,1H3
InChIKeyKVVDHYCXDRKBEU-UHFFFAOYSA-N
MW530.68 g/mol
LogP4.56
Rot. Bonds10

About 2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol

2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol (PubChem CID 18767359) has the molecular formula C33H34N6O and a molecular weight of 530.68 g/mol. Its IUPAC name is 2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol
PubChem CID18767359
Molecular FormulaC33H34N6O
Molecular Weight530.68 g/mol
Exact Mass530.28
IUPAC Name2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol
SMILESCc1cc(C(N)(Cc2ccccn2)Cc2ccccn2)c(O)c(C(N)(Cc2ccccn2)Cc2ccccn2)c1
InChIInChI=1S/C33H34N6O/c1-24-18-29(32(34,20-25-10-2-6-14-36-25)21-26-11-3-7-15-37-26)31(40)30(19-24)33(35,22-27-12-4-8-16-38-27)23-28-13-5-9-17-39-28/h2-19,40H,20-23,34-35H2,1H3
InChIKeyKVVDHYCXDRKBEU-UHFFFAOYSA-N
XLogP4.56
TPSA123.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.68
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol 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 2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol?
The IUPAC name of 2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol (CID 18767359) is 2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol.
What is the SMILES notation for 2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol?
The canonical SMILES for 2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol is Cc1cc(C(N)(Cc2ccccn2)Cc2ccccn2)c(O)c(C(N)(Cc2ccccn2)Cc2ccccn2)c1.
What is the InChIKey of 2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol?
The InChIKey is KVVDHYCXDRKBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O/c1-24-18-29(32(34,20-25-10-2-6-14-36-25)21-26-11-3-7-15-37-26)31(40)30(19-24)33(35,22-27-12-4-8-16-38-27)23-28-13-5-9-17-39-28/h2-19,40H,20-23,34-35H2,1H3.
What are the key properties of 2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol?
2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol has a molecular weight of 530.68 g/mol, XLogP of 4.56, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-amino-1,3-dipyridin-2-ylpropan-2-yl)-4-methylphenol is sourced from PubChem (CID 18767359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).