4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol

C16H16N4O — CID 45486925

IUPAC4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol
SMILESNc1ccc2ncnc(NCCc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H16N4O/c17-12-3-6-15-14(9-12)16(20-10-19-15)18-8-7-11-1-4-13(21)5-2-11/h1-6,9-10,21H,7-8,17H2,(H,18,19,20)
InChIKeyBCJVKQGTRZTXEO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.57
Rot. Bonds4

About 4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol

4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol (PubChem CID 45486925) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol
PubChem CID45486925
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol
SMILESNc1ccc2ncnc(NCCc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H16N4O/c17-12-3-6-15-14(9-12)16(20-10-19-15)18-8-7-11-1-4-13(21)5-2-11/h1-6,9-10,21H,7-8,17H2,(H,18,19,20)
InChIKeyBCJVKQGTRZTXEO-UHFFFAOYSA-N
XLogP2.57
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol (CID 45486925) is 4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol is Nc1ccc2ncnc(NCCc3ccc(O)cc3)c2c1.
What is the InChIKey of 4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol?
The InChIKey is BCJVKQGTRZTXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-12-3-6-15-14(9-12)16(20-10-19-15)18-8-7-11-1-4-13(21)5-2-11/h1-6,9-10,21H,7-8,17H2,(H,18,19,20).
What are the key properties of 4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol?
4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol has a molecular weight of 280.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 45486925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).