5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine

C17H18N4O3 — CID 66924159

IUPAC5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine
SMILESCOc1ccc(COc2cccc3nc(N)nc(N)c23)cc1OC
InChIInChI=1S/C17H18N4O3/c1-22-12-7-6-10(8-14(12)23-2)9-24-13-5-3-4-11-15(13)16(18)21-17(19)20-11/h3-8H,9H2,1-2H3,(H4,18,19,20,21)
InChIKeyULRYHKOKUUPPLO-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.39
Rot. Bonds5

About 5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine

5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine (PubChem CID 66924159) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine
PubChem CID66924159
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine
SMILESCOc1ccc(COc2cccc3nc(N)nc(N)c23)cc1OC
InChIInChI=1S/C17H18N4O3/c1-22-12-7-6-10(8-14(12)23-2)9-24-13-5-3-4-11-15(13)16(18)21-17(19)20-11/h3-8H,9H2,1-2H3,(H4,18,19,20,21)
InChIKeyULRYHKOKUUPPLO-UHFFFAOYSA-N
XLogP2.39
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-phenylmethoxyquinazoline-2,4-diamine
CID 11536300
5-(3,4-dimethoxyphenoxy)quinazoline-2,4-diamine
CID 15551242
5-(2-methoxyethoxy)quinazoline-2,4-diamine
CID 11637233
5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine
CID 24778025
5-[3-(4-chlorophenyl)propoxy]quinazoline-2,4-diamine
CID 11558965
4-[(2-chlorophenoxy)methyl]-1,2-dimethoxybenzene
CID 64763618
6-(3,4-dimethoxyphenyl)-4-phenylmethoxyquinazolin-2-amine
CID 24961708
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
5-[2-(4-chlorophenyl)-3-(methoxymethoxy)propoxy]quinazoline-2,4-diamine
CID 11703778
5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11617559
6-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 21146375
5-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methoxy]quinazoline-2,4-diamine
CID 66924103

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine (CID 66924159) is 5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine is COc1ccc(COc2cccc3nc(N)nc(N)c23)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine?
The InChIKey is ULRYHKOKUUPPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-22-12-7-6-10(8-14(12)23-2)9-24-13-5-3-4-11-15(13)16(18)21-17(19)20-11/h3-8H,9H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine?
5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine has a molecular weight of 326.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 66924159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).