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

C17H19N3O2 — CID 91645041

IUPAC2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol
SMILESOCCC1(CNc2ncnc3c2oc2ccccc23)CCC1
InChIInChI=1S/C17H19N3O2/c21-9-8-17(6-3-7-17)10-18-16-15-14(19-11-20-16)12-4-1-2-5-13(12)22-15/h1-2,4-5,11,21H,3,6-10H2,(H,18,19,20)
InChIKeyZRQTVWIRPNGGCR-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.34
Rot. Bonds5

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

2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol (PubChem CID 91645041) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol
PubChem CID91645041
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol
SMILESOCCC1(CNc2ncnc3c2oc2ccccc23)CCC1
InChIInChI=1S/C17H19N3O2/c21-9-8-17(6-3-7-17)10-18-16-15-14(19-11-20-16)12-4-1-2-5-13(12)22-15/h1-2,4-5,11,21H,3,6-10H2,(H,18,19,20)
InChIKeyZRQTVWIRPNGGCR-UHFFFAOYSA-N
XLogP3.34
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol?
The IUPAC name of 2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol (CID 91645041) is 2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol.
What is the SMILES notation for 2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol?
The canonical SMILES for 2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol is OCCC1(CNc2ncnc3c2oc2ccccc23)CCC1.
What is the InChIKey of 2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol?
The InChIKey is ZRQTVWIRPNGGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-9-8-17(6-3-7-17)10-18-16-15-14(19-11-20-16)12-4-1-2-5-13(12)22-15/h1-2,4-5,11,21H,3,6-10H2,(H,18,19,20).
What are the key properties of 2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol?
2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol has a molecular weight of 297.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[([1]benzofuro[3,2-d]pyrimidin-4-ylamino)methyl]cyclobutyl]ethanol is sourced from PubChem (CID 91645041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).