2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol

C12H16N4O2 — CID 64588093

IUPAC2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ccc2ncnc(N(CCO)CCO)c2c1
InChIInChI=1S/C12H16N4O2/c13-9-1-2-11-10(7-9)12(15-8-14-11)16(3-5-17)4-6-18/h1-2,7-8,17-18H,3-6,13H2
InChIKeyLKKWGOJHRUPYPF-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.00
Rot. Bonds5

About 2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 64588093) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID64588093
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ccc2ncnc(N(CCO)CCO)c2c1
InChIInChI=1S/C12H16N4O2/c13-9-1-2-11-10(7-9)12(15-8-14-11)16(3-5-17)4-6-18/h1-2,7-8,17-18H,3-6,13H2
InChIKeyLKKWGOJHRUPYPF-UHFFFAOYSA-N
XLogP0.00
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 64588093) is 2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol is Nc1ccc2ncnc(N(CCO)CCO)c2c1.
What is the InChIKey of 2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is LKKWGOJHRUPYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-9-1-2-11-10(7-9)12(15-8-14-11)16(3-5-17)4-6-18/h1-2,7-8,17-18H,3-6,13H2.
What are the key properties of 2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 248.29 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 64588093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).