2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol

C12H16N4O3 — CID 57342964

IUPAC2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol
SMILESCOc1cc2nc(N)nc(NCCO)c2cc1OC
InChIInChI=1S/C12H16N4O3/c1-18-9-5-7-8(6-10(9)19-2)15-12(13)16-11(7)14-3-4-17/h5-6,17H,3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeyLNWOUJGYTOLZOA-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.63
Rot. Bonds5

About 2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol

2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol (PubChem CID 57342964) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol
PubChem CID57342964
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol
SMILESCOc1cc2nc(N)nc(NCCO)c2cc1OC
InChIInChI=1S/C12H16N4O3/c1-18-9-5-7-8(6-10(9)19-2)15-12(13)16-11(7)14-3-4-17/h5-6,17H,3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeyLNWOUJGYTOLZOA-UHFFFAOYSA-N
XLogP0.63
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol (CID 57342964) is 2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol is COc1cc2nc(N)nc(NCCO)c2cc1OC.
What is the InChIKey of 2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol?
The InChIKey is LNWOUJGYTOLZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-18-9-5-7-8(6-10(9)19-2)15-12(13)16-11(7)14-3-4-17/h5-6,17H,3-4H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol?
2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol has a molecular weight of 264.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 57342964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).