5-(4-methylphenoxy)quinazoline-2,4-diamine

C15H14N4O — CID 4106338

IUPAC5-(4-methylphenoxy)quinazoline-2,4-diamine
SMILESCc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1
InChIInChI=1S/C15H14N4O/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
InChIKeyBYDBBHVBHPKCHX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.89
Rot. Bonds2

About 5-(4-methylphenoxy)quinazoline-2,4-diamine

5-(4-methylphenoxy)quinazoline-2,4-diamine (PubChem CID 4106338) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(4-methylphenoxy)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(4-methylphenoxy)quinazoline-2,4-diamine
PubChem CID4106338
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-(4-methylphenoxy)quinazoline-2,4-diamine
SMILESCc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1
InChIInChI=1S/C15H14N4O/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
InChIKeyBYDBBHVBHPKCHX-UHFFFAOYSA-N
XLogP2.89
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenoxy)quinazoline-2,4-diamine?
The IUPAC name of 5-(4-methylphenoxy)quinazoline-2,4-diamine (CID 4106338) is 5-(4-methylphenoxy)quinazoline-2,4-diamine.
What is the SMILES notation for 5-(4-methylphenoxy)quinazoline-2,4-diamine?
The canonical SMILES for 5-(4-methylphenoxy)quinazoline-2,4-diamine is Cc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1.
What is the InChIKey of 5-(4-methylphenoxy)quinazoline-2,4-diamine?
The InChIKey is BYDBBHVBHPKCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19).
What are the key properties of 5-(4-methylphenoxy)quinazoline-2,4-diamine?
5-(4-methylphenoxy)quinazoline-2,4-diamine has a molecular weight of 266.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenoxy)quinazoline-2,4-diamine is sourced from PubChem (CID 4106338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).