2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol

C17H19N3O2 — CID 133496505

IUPAC2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H19N3O2/c21-9-8-11-4-3-6-13(11)20-17-16-15(18-10-19-17)12-5-1-2-7-14(12)22-16/h1-2,5,7,10-11,13,21H,3-4,6,8-9H2,(H,18,19,20)
InChIKeyLLAPEATYUFQDQI-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.34
Rot. Bonds4

About 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol

2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol (PubChem CID 133496505) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol
PubChem CID133496505
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H19N3O2/c21-9-8-11-4-3-6-13(11)20-17-16-15(18-10-19-17)12-5-1-2-7-14(12)22-16/h1-2,5,7,10-11,13,21H,3-4,6,8-9H2,(H,18,19,20)
InChIKeyLLAPEATYUFQDQI-UHFFFAOYSA-N
XLogP3.34
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol?
The IUPAC name of 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol (CID 133496505) is 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol?
The canonical SMILES for 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol is OCCC1CCCC1Nc1ncnc2c1oc1ccccc12.
What is the InChIKey of 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol?
The InChIKey is LLAPEATYUFQDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-9-8-11-4-3-6-13(11)20-17-16-15(18-10-19-17)12-5-1-2-7-14(12)22-16/h1-2,5,7,10-11,13,21H,3-4,6,8-9H2,(H,18,19,20).
What are the key properties of 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol?
2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol has a molecular weight of 297.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)cyclopentyl]ethanol is sourced from PubChem (CID 133496505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).