2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol

C17H28N4O2 — CID 133496520

IUPAC2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C17H28N4O2/c22-8-6-14-4-1-5-15(14)20-16-9-17(19-12-18-16)21-7-2-3-13(10-21)11-23/h9,12-15,22-23H,1-8,10-11H2,(H,18,19,20)
InChIKeyZADVWPDBJHVLJD-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.65
Rot. Bonds6

About 2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol

2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol (PubChem CID 133496520) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol
PubChem CID133496520
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C17H28N4O2/c22-8-6-14-4-1-5-15(14)20-16-9-17(19-12-18-16)21-7-2-3-13(10-21)11-23/h9,12-15,22-23H,1-8,10-11H2,(H,18,19,20)
InChIKeyZADVWPDBJHVLJD-UHFFFAOYSA-N
XLogP1.65
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol (CID 133496520) is 2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol is OCCC1CCCC1Nc1cc(N2CCCC(CO)C2)ncn1.
What is the InChIKey of 2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The InChIKey is ZADVWPDBJHVLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-8-6-14-4-1-5-15(14)20-16-9-17(19-12-18-16)21-7-2-3-13(10-21)11-23/h9,12-15,22-23H,1-8,10-11H2,(H,18,19,20).
What are the key properties of 2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol has a molecular weight of 320.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).