2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol

C13H22N4O2 — CID 82693650

IUPAC2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
SMILESCCc1c(N)ncnc1N1CCC(OCCO)CC1
InChIInChI=1S/C13H22N4O2/c1-2-11-12(14)15-9-16-13(11)17-5-3-10(4-6-17)19-8-7-18/h9-10,18H,2-8H2,1H3,(H2,14,15,16)
InChIKeyGDXRCQRXZYFFED-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.60
Rot. Bonds5

About 2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol

2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol (PubChem CID 82693650) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
PubChem CID82693650
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
SMILESCCc1c(N)ncnc1N1CCC(OCCO)CC1
InChIInChI=1S/C13H22N4O2/c1-2-11-12(14)15-9-16-13(11)17-5-3-10(4-6-17)19-8-7-18/h9-10,18H,2-8H2,1H3,(H2,14,15,16)
InChIKeyGDXRCQRXZYFFED-UHFFFAOYSA-N
XLogP0.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol (CID 82693650) is 2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol is CCc1c(N)ncnc1N1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The InChIKey is GDXRCQRXZYFFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-11-12(14)15-9-16-13(11)17-5-3-10(4-6-17)19-8-7-18/h9-10,18H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol?
2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol has a molecular weight of 266.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82693650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).