4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol

C22H20N6O — CID 135567168

IUPAC4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol
SMILESNc1nc(-c2ccc(O)cc2)cc(N(Cc2ccccn2)Cc2ccccn2)n1
InChIInChI=1S/C22H20N6O/c23-22-26-20(16-7-9-19(29)10-8-16)13-21(27-22)28(14-17-5-1-3-11-24-17)15-18-6-2-4-12-25-18/h1-13,29H,14-15H2,(H2,23,26,27)
InChIKeyLXSAXBJSZAHFFN-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.43
Rot. Bonds6

About 4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol

4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol (PubChem CID 135567168) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol
PubChem CID135567168
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol
SMILESNc1nc(-c2ccc(O)cc2)cc(N(Cc2ccccn2)Cc2ccccn2)n1
InChIInChI=1S/C22H20N6O/c23-22-26-20(16-7-9-19(29)10-8-16)13-21(27-22)28(14-17-5-1-3-11-24-17)15-18-6-2-4-12-25-18/h1-13,29H,14-15H2,(H2,23,26,27)
InChIKeyLXSAXBJSZAHFFN-UHFFFAOYSA-N
XLogP3.43
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-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-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol (CID 135567168) is 4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol is Nc1nc(-c2ccc(O)cc2)cc(N(Cc2ccccn2)Cc2ccccn2)n1.
What is the InChIKey of 4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol?
The InChIKey is LXSAXBJSZAHFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c23-22-26-20(16-7-9-19(29)10-8-16)13-21(27-22)28(14-17-5-1-3-11-24-17)15-18-6-2-4-12-25-18/h1-13,29H,14-15H2,(H2,23,26,27).
What are the key properties of 4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol?
4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol has a molecular weight of 384.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-[bis(pyridin-2-ylmethyl)amino]pyrimidin-4-yl]phenol is sourced from PubChem (CID 135567168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).