3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol

C19H17N3O2 — CID 2014032

IUPAC3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccccc2)nc2c1oc1ccccc12
InChIInChI=1S/C19H17N3O2/c23-12-6-11-20-19-17-16(14-9-4-5-10-15(14)24-17)21-18(22-19)13-7-2-1-3-8-13/h1-5,7-10,23H,6,11-12H2,(H,20,21,22)
InChIKeyOLYUQJXHEKWANF-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.84
Rot. Bonds5

About 3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol

3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol (PubChem CID 2014032) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
PubChem CID2014032
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccccc2)nc2c1oc1ccccc12
InChIInChI=1S/C19H17N3O2/c23-12-6-11-20-19-17-16(14-9-4-5-10-15(14)24-17)21-18(22-19)13-7-2-1-3-8-13/h1-5,7-10,23H,6,11-12H2,(H,20,21,22)
InChIKeyOLYUQJXHEKWANF-UHFFFAOYSA-N
XLogP3.84
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol (CID 2014032) is 3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol is OCCCNc1nc(-c2ccccc2)nc2c1oc1ccccc12.
What is the InChIKey of 3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is OLYUQJXHEKWANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-12-6-11-20-19-17-16(14-9-4-5-10-15(14)24-17)21-18(22-19)13-7-2-1-3-8-13/h1-5,7-10,23H,6,11-12H2,(H,20,21,22).
What are the key properties of 3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol?
3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 319.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 2014032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).