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

C16H16N4O — CID 2824489

IUPAC5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine
SMILESCc1ccc(COc2cccc3nc(N)nc(N)c23)cc1
InChIInChI=1S/C16H16N4O/c1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(13)15(17)20-16(18)19-12/h2-8H,9H2,1H3,(H4,17,18,19,20)
InChIKeyXITJNLVILSJJHU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.68
Rot. Bonds3

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

5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine (PubChem CID 2824489) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine
PubChem CID2824489
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine
SMILESCc1ccc(COc2cccc3nc(N)nc(N)c23)cc1
InChIInChI=1S/C16H16N4O/c1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(13)15(17)20-16(18)19-12/h2-8H,9H2,1H3,(H4,17,18,19,20)
InChIKeyXITJNLVILSJJHU-UHFFFAOYSA-N
XLogP2.68
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine (CID 2824489) is 5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine is Cc1ccc(COc2cccc3nc(N)nc(N)c23)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine?
The InChIKey is XITJNLVILSJJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-5-7-11(8-6-10)9-21-13-4-2-3-12-14(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-methylphenyl)methoxy]quinazoline-2,4-diamine?
5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine has a molecular weight of 280.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 2824489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).