2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol

C20H22N6O — CID 4061280

IUPAC2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(-c3cccnc3)nc(-c3ccncc3)n2)CC1
InChIInChI=1S/C20H22N6O/c27-13-12-25-8-10-26(11-9-25)19-14-18(17-2-1-5-22-15-17)23-20(24-19)16-3-6-21-7-4-16/h1-7,14-15,27H,8-13H2
InChIKeyDZNXUYMRNYAOHN-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 4061280) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID4061280
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2cc(-c3cccnc3)nc(-c3ccncc3)n2)CC1
InChIInChI=1S/C20H22N6O/c27-13-12-25-8-10-26(11-9-25)19-14-18(17-2-1-5-22-15-17)23-20(24-19)16-3-6-21-7-4-16/h1-7,14-15,27H,8-13H2
InChIKeyDZNXUYMRNYAOHN-UHFFFAOYSA-N
XLogP1.71
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol (CID 4061280) is 2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol is OCCN1CCN(c2cc(-c3cccnc3)nc(-c3ccncc3)n2)CC1.
What is the InChIKey of 2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is DZNXUYMRNYAOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-13-12-25-8-10-26(11-9-25)19-14-18(17-2-1-5-22-15-17)23-20(24-19)16-3-6-21-7-4-16/h1-7,14-15,27H,8-13H2.
What are the key properties of 2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 362.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 4061280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).