4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol

C21H24N6O — CID 117090280

IUPAC4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2ccnc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C21H24N6O/c28-18-6-4-17(5-7-18)8-11-22-19-9-12-24-21(25-19)27-15-13-26(14-16-27)20-3-1-2-10-23-20/h1-7,9-10,12,28H,8,11,13-16H2,(H,22,24,25)
InChIKeyLCOXXQCOWMVCGA-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.56
Rot. Bonds6

About 4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 117090280) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID117090280
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2ccnc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C21H24N6O/c28-18-6-4-17(5-7-18)8-11-22-19-9-12-24-21(25-19)27-15-13-26(14-16-27)20-3-1-2-10-23-20/h1-7,9-10,12,28H,8,11,13-16H2,(H,22,24,25)
InChIKeyLCOXXQCOWMVCGA-UHFFFAOYSA-N
XLogP2.56
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol (CID 117090280) is 4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol is Oc1ccc(CCNc2ccnc(N3CCN(c4ccccn4)CC3)n2)cc1.
What is the InChIKey of 4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is LCOXXQCOWMVCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-18-6-4-17(5-7-18)8-11-22-19-9-12-24-21(25-19)27-15-13-26(14-16-27)20-3-1-2-10-23-20/h1-7,9-10,12,28H,8,11,13-16H2,(H,22,24,25).
What are the key properties of 4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 376.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 117090280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).