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

C23H21N5O — CID 24863368

IUPAC3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol
SMILESCc1cccc(-c2nc(NCCc3cccc(O)c3)cc(-c3cccnc3)n2)n1
InChIInChI=1S/C23H21N5O/c1-16-5-2-9-20(26-16)23-27-21(18-7-4-11-24-15-18)14-22(28-23)25-12-10-17-6-3-8-19(29)13-17/h2-9,11,13-15,29H,10,12H2,1H3,(H,25,27,28)
InChIKeyVVWZOAIDNVSRJB-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.27
Rot. Bonds6

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

3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 24863368) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol
PubChem CID24863368
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol
SMILESCc1cccc(-c2nc(NCCc3cccc(O)c3)cc(-c3cccnc3)n2)n1
InChIInChI=1S/C23H21N5O/c1-16-5-2-9-20(26-16)23-27-21(18-7-4-11-24-15-18)14-22(28-23)25-12-10-17-6-3-8-19(29)13-17/h2-9,11,13-15,29H,10,12H2,1H3,(H,25,27,28)
InChIKeyVVWZOAIDNVSRJB-UHFFFAOYSA-N
XLogP4.27
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol (CID 24863368) is 3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol is Cc1cccc(-c2nc(NCCc3cccc(O)c3)cc(-c3cccnc3)n2)n1.
What is the InChIKey of 3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is VVWZOAIDNVSRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-16-5-2-9-20(26-16)23-27-21(18-7-4-11-24-15-18)14-22(28-23)25-12-10-17-6-3-8-19(29)13-17/h2-9,11,13-15,29H,10,12H2,1H3,(H,25,27,28).
What are the key properties of 3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol?
3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 383.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 24863368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).