5-phenoxyquinazoline-2,4-diamine

C14H12N4O — CID 4308266

IUPAC5-phenoxyquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Oc3ccccc3)cccc2n1
InChIInChI=1S/C14H12N4O/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18)
InChIKeyGRCSWAWBGLWGRP-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.59
Rot. Bonds2

About 5-phenoxyquinazoline-2,4-diamine

5-phenoxyquinazoline-2,4-diamine (PubChem CID 4308266) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-phenoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name5-phenoxyquinazoline-2,4-diamine
PubChem CID4308266
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-phenoxyquinazoline-2,4-diamine
SMILESNc1nc(N)c2c(Oc3ccccc3)cccc2n1
InChIInChI=1S/C14H12N4O/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18)
InChIKeyGRCSWAWBGLWGRP-UHFFFAOYSA-N
XLogP2.59
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine
CID 15551242
5-phenylmethoxyquinazoline-2,4-diamine
CID 11536300
5-isoquinolin-5-yloxyquinazoline-2,4-diamine
CID 24777024
2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol
CID 69360131
5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine
CID 24778025
5-(2-methoxyethoxy)quinazoline-2,4-diamine
CID 11637233
5-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]quinazoline-2,4-diamine
CID 66924142
5-[1-[2-(trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine
CID 11494005
5-[3-(4-chlorophenyl)propoxy]quinazoline-2,4-diamine
CID 11558965
5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine
CID 11529516
5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine
CID 66924159
5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine
CID 25003846

Frequently Asked Questions

What is the IUPAC name of 5-phenoxyquinazoline-2,4-diamine?
The IUPAC name of 5-phenoxyquinazoline-2,4-diamine (CID 4308266) is 5-phenoxyquinazoline-2,4-diamine.
What is the SMILES notation for 5-phenoxyquinazoline-2,4-diamine?
The canonical SMILES for 5-phenoxyquinazoline-2,4-diamine is Nc1nc(N)c2c(Oc3ccccc3)cccc2n1.
What is the InChIKey of 5-phenoxyquinazoline-2,4-diamine?
The InChIKey is GRCSWAWBGLWGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-13-12-10(17-14(16)18-13)7-4-8-11(12)19-9-5-2-1-3-6-9/h1-8H,(H4,15,16,17,18).
What are the key properties of 5-phenoxyquinazoline-2,4-diamine?
5-phenoxyquinazoline-2,4-diamine has a molecular weight of 252.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxyquinazoline-2,4-diamine is sourced from PubChem (CID 4308266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).