4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol

C22H19N5O2 — CID 90689491

IUPAC4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol
SMILESOc1ccc(C(O)CN(c2ccncn2)c2cccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C22H19N5O2/c28-18-8-6-16(7-9-18)20(29)14-27(21-10-12-24-15-25-21)22-5-1-4-19(26-22)17-3-2-11-23-13-17/h1-13,15,20,28-29H,14H2
InChIKeyCAYOMTPZJMPLKB-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.51
Rot. Bonds6

About 4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol

4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol (PubChem CID 90689491) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol
PubChem CID90689491
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol
SMILESOc1ccc(C(O)CN(c2ccncn2)c2cccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C22H19N5O2/c28-18-8-6-16(7-9-18)20(29)14-27(21-10-12-24-15-25-21)22-5-1-4-19(26-22)17-3-2-11-23-13-17/h1-13,15,20,28-29H,14H2
InChIKeyCAYOMTPZJMPLKB-UHFFFAOYSA-N
XLogP3.51
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol?
The IUPAC name of 4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol (CID 90689491) is 4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol is Oc1ccc(C(O)CN(c2ccncn2)c2cccc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol?
The InChIKey is CAYOMTPZJMPLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-18-8-6-16(7-9-18)20(29)14-27(21-10-12-24-15-25-21)22-5-1-4-19(26-22)17-3-2-11-23-13-17/h1-13,15,20,28-29H,14H2.
What are the key properties of 4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol?
4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol has a molecular weight of 385.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]ethyl]phenol is sourced from PubChem (CID 90689491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).