2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol

C16H16N4O2 — CID 69360131

IUPAC2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol
SMILESNc1nc(N)c2c(Oc3ccccc3CCO)cccc2n1
InChIInChI=1S/C16H16N4O2/c17-15-14-11(19-16(18)20-15)5-3-7-13(14)22-12-6-2-1-4-10(12)8-9-21/h1-7,21H,8-9H2,(H4,17,18,19,20)
InChIKeyLPGOJXALZUSJPC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.12
Rot. Bonds4

About 2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol

2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol (PubChem CID 69360131) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol
PubChem CID69360131
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol
SMILESNc1nc(N)c2c(Oc3ccccc3CCO)cccc2n1
InChIInChI=1S/C16H16N4O2/c17-15-14-11(19-16(18)20-15)5-3-7-13(14)22-12-6-2-1-4-10(12)8-9-21/h1-7,21H,8-9H2,(H4,17,18,19,20)
InChIKeyLPGOJXALZUSJPC-UHFFFAOYSA-N
XLogP2.12
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenoxyquinazoline-2,4-diamine
CID 4308266
5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine
CID 24778025
5-phenylmethoxyquinazoline-2,4-diamine
CID 11536300
5-isoquinolin-5-yloxyquinazoline-2,4-diamine
CID 24777024
5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine
CID 66924103
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
5-(2-methoxyethoxy)quinazoline-2,4-diamine
CID 11637233
2-[2-(6-amino-2,3-difluorophenoxy)phenyl]ethanol
CID 107711922
5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine
CID 15551242
5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine
CID 25003846
2-[2-[(2-amino-7H-purin-6-yl)oxy]phenyl]ethanol
CID 91991251
5-[3-(4-chlorophenyl)propoxy]quinazoline-2,4-diamine
CID 11558965

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol?
The IUPAC name of 2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol (CID 69360131) is 2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol.
What is the SMILES notation for 2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol?
The canonical SMILES for 2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol is Nc1nc(N)c2c(Oc3ccccc3CCO)cccc2n1.
What is the InChIKey of 2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol?
The InChIKey is LPGOJXALZUSJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-15-14-11(19-16(18)20-15)5-3-7-13(14)22-12-6-2-1-4-10(12)8-9-21/h1-7,21H,8-9H2,(H4,17,18,19,20).
What are the key properties of 2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol?
2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol has a molecular weight of 296.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol is sourced from PubChem (CID 69360131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).