4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol

C23H21N5O — CID 69184050

IUPAC4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol
SMILESCN(CCc1ccc(O)cc1)c1cc(-c2cccnc2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H21N5O/c1-28(14-11-17-7-9-19(29)10-8-17)22-15-21(18-5-4-12-24-16-18)26-23(27-22)20-6-2-3-13-25-20/h2-10,12-13,15-16,29H,11,14H2,1H3
InChIKeyBNSKFTRWEAWVCJ-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.99
Rot. Bonds6

About 4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol

4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 69184050) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol
PubChem CID69184050
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol
SMILESCN(CCc1ccc(O)cc1)c1cc(-c2cccnc2)nc(-c2ccccn2)n1
InChIInChI=1S/C23H21N5O/c1-28(14-11-17-7-9-19(29)10-8-17)22-15-21(18-5-4-12-24-16-18)26-23(27-22)20-6-2-3-13-25-20/h2-10,12-13,15-16,29H,11,14H2,1H3
InChIKeyBNSKFTRWEAWVCJ-UHFFFAOYSA-N
XLogP3.99
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol (CID 69184050) is 4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol is CN(CCc1ccc(O)cc1)c1cc(-c2cccnc2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is BNSKFTRWEAWVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-28(14-11-17-7-9-19(29)10-8-17)22-15-21(18-5-4-12-24-16-18)26-23(27-22)20-6-2-3-13-25-20/h2-10,12-13,15-16,29H,11,14H2,1H3.
What are the key properties of 4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol?
4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 383.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 69184050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).