2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol

C11H14N4O — CID 80773437

IUPAC2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1nc(N)nc2ccccc12
InChIInChI=1S/C11H14N4O/c1-15(6-7-16)10-8-4-2-3-5-9(8)13-11(12)14-10/h2-5,16H,6-7H2,1H3,(H2,12,13,14)
InChIKeyQDNWNTPHLMOGQQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.64
Rot. Bonds3

About 2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol

2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol (PubChem CID 80773437) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol
PubChem CID80773437
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1nc(N)nc2ccccc12
InChIInChI=1S/C11H14N4O/c1-15(6-7-16)10-8-4-2-3-5-9(8)13-11(12)14-10/h2-5,16H,6-7H2,1H3,(H2,12,13,14)
InChIKeyQDNWNTPHLMOGQQ-UHFFFAOYSA-N
XLogP0.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol?
The IUPAC name of 2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol (CID 80773437) is 2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol is CN(CCO)c1nc(N)nc2ccccc12.
What is the InChIKey of 2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol?
The InChIKey is QDNWNTPHLMOGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(6-7-16)10-8-4-2-3-5-9(8)13-11(12)14-10/h2-5,16H,6-7H2,1H3,(H2,12,13,14).
What are the key properties of 2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol?
2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol is sourced from PubChem (CID 80773437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).