1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol

C13H22N4O — CID 72856377

IUPAC1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol
SMILESCCc1cnc(NCCN2CCC(O)CC2)nc1
InChIInChI=1S/C13H22N4O/c1-2-11-9-15-13(16-10-11)14-5-8-17-6-3-12(18)4-7-17/h9-10,12,18H,2-8H2,1H3,(H,14,15,16)
InChIKeyYRRAAGVARVQENF-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.91
Rot. Bonds5

About 1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol

1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol (PubChem CID 72856377) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol
PubChem CID72856377
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol
SMILESCCc1cnc(NCCN2CCC(O)CC2)nc1
InChIInChI=1S/C13H22N4O/c1-2-11-9-15-13(16-10-11)14-5-8-17-6-3-12(18)4-7-17/h9-10,12,18H,2-8H2,1H3,(H,14,15,16)
InChIKeyYRRAAGVARVQENF-UHFFFAOYSA-N
XLogP0.91
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol (CID 72856377) is 1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol is CCc1cnc(NCCN2CCC(O)CC2)nc1.
What is the InChIKey of 1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol?
The InChIKey is YRRAAGVARVQENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-11-9-15-13(16-10-11)14-5-8-17-6-3-12(18)4-7-17/h9-10,12,18H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol?
1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol has a molecular weight of 250.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]piperidin-4-ol is sourced from PubChem (CID 72856377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).