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

C16H16N4O2 — CID 24778029

IUPAC5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine
SMILESCOc1ccc(COc2cccc3nc(N)nc(N)c23)cc1
InChIInChI=1S/C16H16N4O2/c1-21-11-7-5-10(6-8-11)9-22-13-4-2-3-12-14(13)15(17)20-16(18)19-12/h2-8H,9H2,1H3,(H4,17,18,19,20)
InChIKeyYUYVTAKJNZRBBD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.38
Rot. Bonds4

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

5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine (PubChem CID 24778029) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine
PubChem CID24778029
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine
SMILESCOc1ccc(COc2cccc3nc(N)nc(N)c23)cc1
InChIInChI=1S/C16H16N4O2/c1-21-11-7-5-10(6-8-11)9-22-13-4-2-3-12-14(13)15(17)20-16(18)19-12/h2-8H,9H2,1H3,(H4,17,18,19,20)
InChIKeyYUYVTAKJNZRBBD-UHFFFAOYSA-N
XLogP2.38
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine (CID 24778029) is 5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine is COc1ccc(COc2cccc3nc(N)nc(N)c23)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine?
The InChIKey is YUYVTAKJNZRBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-21-11-7-5-10(6-8-11)9-22-13-4-2-3-12-14(13)15(17)20-16(18)19-12/h2-8H,9H2,1H3,(H4,17,18,19,20).
What are the key properties of 5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine?
5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine has a molecular weight of 296.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 24778029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).