5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine

C16H16N4O3 — CID 15551242

IUPAC5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine
SMILESCOc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1OC
InChIInChI=1S/C16H16N4O3/c1-21-11-7-6-9(8-13(11)22-2)23-12-5-3-4-10-14(12)15(17)20-16(18)19-10/h3-8H,1-2H3,(H4,17,18,19,20)
InChIKeyYBIRGKKOYUEYOL-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.60
Rot. Bonds4

About 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine

5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine (PubChem CID 15551242) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine
PubChem CID15551242
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine
SMILESCOc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1OC
InChIInChI=1S/C16H16N4O3/c1-21-11-7-6-9(8-13(11)22-2)23-12-5-3-4-10-14(12)15(17)20-16(18)19-10/h3-8H,1-2H3,(H4,17,18,19,20)
InChIKeyYBIRGKKOYUEYOL-UHFFFAOYSA-N
XLogP2.60
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-phenoxyquinazoline-2,4-diamine
CID 4308266
5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine
CID 66924159
5-(2-methoxyethoxy)quinazoline-2,4-diamine
CID 11637233
5-isoquinolin-5-yloxyquinazoline-2,4-diamine
CID 24777024
2-[2-(2,4-diaminoquinazolin-5-yl)oxyphenyl]ethanol
CID 69360131
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
5-chloro-6-[(3,4-dimethoxyanilino)methyl]quinazoline-2,4-diamine
CID 169435987
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine
CID 11529516
5-phenylmethoxyquinazoline-2,4-diamine
CID 11536300
[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 67302160
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine?
The IUPAC name of 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine (CID 15551242) is 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine.
What is the SMILES notation for 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine?
The canonical SMILES for 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine is COc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine?
The InChIKey is YBIRGKKOYUEYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-21-11-7-6-9(8-13(11)22-2)23-12-5-3-4-10-14(12)15(17)20-16(18)19-10/h3-8H,1-2H3,(H4,17,18,19,20).
What are the key properties of 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine?
5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine has a molecular weight of 312.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine is sourced from PubChem (CID 15551242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).