2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol

C15H20N6O2 — CID 19140705

IUPAC2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESNc1c(Oc2cccnc2)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C15H20N6O2/c16-13-14(21-6-4-20(5-7-21)8-9-22)18-11-19-15(13)23-12-2-1-3-17-10-12/h1-3,10-11,22H,4-9,16H2
InChIKeyACDXQMXFGQXRLR-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.36
Rot. Bonds5

About 2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 19140705) has the molecular formula C15H20N6O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID19140705
Molecular FormulaC15H20N6O2
Molecular Weight316.36 g/mol
Exact Mass316.16
IUPAC Name2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESNc1c(Oc2cccnc2)ncnc1N1CCN(CCO)CC1
InChIInChI=1S/C15H20N6O2/c16-13-14(21-6-4-20(5-7-21)8-9-22)18-11-19-15(13)23-12-2-1-3-17-10-12/h1-3,10-11,22H,4-9,16H2
InChIKeyACDXQMXFGQXRLR-UHFFFAOYSA-N
XLogP0.36
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[5-amino-6-(4-bromophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140744
2-[4-[5-amino-6-(3,5-dimethylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 22540705
4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152572
2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137084
2-[4-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 19140732
2-[4-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137446
4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine
CID 19139509
4-(4-benzylpiperazin-1-yl)-5-nitro-6-pyridin-3-yloxypyrimidine
CID 23491289
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
CID 19152575
4-(4-ethylpiperazin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138340
2-[4-(5-amino-6-hydrazinylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19140663
4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152632

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol (CID 19140705) is 2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol is Nc1c(Oc2cccnc2)ncnc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is ACDXQMXFGQXRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c16-13-14(21-6-4-20(5-7-21)8-9-22)18-11-19-15(13)23-12-2-1-3-17-10-12/h1-3,10-11,22H,4-9,16H2.
What are the key properties of 2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 316.36 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 19140705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).