2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol

C13H22N4O2 — CID 82692303

IUPAC2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
SMILESCCNc1nccc(N2CCC(OCCO)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-2-14-13-15-6-3-12(16-13)17-7-4-11(5-8-17)19-10-9-18/h3,6,11,18H,2,4-5,7-10H2,1H3,(H,14,15,16)
InChIKeyOFVSUBZHNSVKQX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.89
Rot. Bonds6

About 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol

2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol (PubChem CID 82692303) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
PubChem CID82692303
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
SMILESCCNc1nccc(N2CCC(OCCO)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-2-14-13-15-6-3-12(16-13)17-7-4-11(5-8-17)19-10-9-18/h3,6,11,18H,2,4-5,7-10H2,1H3,(H,14,15,16)
InChIKeyOFVSUBZHNSVKQX-UHFFFAOYSA-N
XLogP0.89
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol (CID 82692303) is 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol is CCNc1nccc(N2CCC(OCCO)CC2)n1.
What is the InChIKey of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
The InChIKey is OFVSUBZHNSVKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-14-13-15-6-3-12(16-13)17-7-4-11(5-8-17)19-10-9-18/h3,6,11,18H,2,4-5,7-10H2,1H3,(H,14,15,16).
What are the key properties of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol?
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol has a molecular weight of 266.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82692303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).