2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol

C17H13N3O2 — CID 1413556

IUPAC2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol
SMILESCc1nc(Nc2ccccc2O)c2oc3ccccc3c2n1
InChIInChI=1S/C17H13N3O2/c1-10-18-15-11-6-2-5-9-14(11)22-16(15)17(19-10)20-12-7-3-4-8-13(12)21/h2-9,21H,1H3,(H,18,19,20)
InChIKeySCECJTFKIUQBIJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.13
Rot. Bonds2

About 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol

2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol (PubChem CID 1413556) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol
PubChem CID1413556
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol
SMILESCc1nc(Nc2ccccc2O)c2oc3ccccc3c2n1
InChIInChI=1S/C17H13N3O2/c1-10-18-15-11-6-2-5-9-14(11)22-16(15)17(19-10)20-12-7-3-4-8-13(12)21/h2-9,21H,1H3,(H,18,19,20)
InChIKeySCECJTFKIUQBIJ-UHFFFAOYSA-N
XLogP4.13
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol?
The IUPAC name of 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol (CID 1413556) is 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol?
The canonical SMILES for 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol is Cc1nc(Nc2ccccc2O)c2oc3ccccc3c2n1.
What is the InChIKey of 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol?
The InChIKey is SCECJTFKIUQBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-10-18-15-11-6-2-5-9-14(11)22-16(15)17(19-10)20-12-7-3-4-8-13(12)21/h2-9,21H,1H3,(H,18,19,20).
What are the key properties of 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol?
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol has a molecular weight of 291.31 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 1413556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).