7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine

C15H15N5 — CID 56676459

IUPAC7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine
SMILESCc1cc2c(N)nc(N)nc2cc1-c1ccc(N)cc1
InChIInChI=1S/C15H15N5/c1-8-6-12-13(19-15(18)20-14(12)17)7-11(8)9-2-4-10(16)5-3-9/h2-7H,16H2,1H3,(H4,17,18,19,20)
InChIKeyOYIKUBCUDZBNAM-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.35
Rot. Bonds1

About 7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine

7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine (PubChem CID 56676459) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine
PubChem CID56676459
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine
SMILESCc1cc2c(N)nc(N)nc2cc1-c1ccc(N)cc1
InChIInChI=1S/C15H15N5/c1-8-6-12-13(19-15(18)20-14(12)17)7-11(8)9-2-4-10(16)5-3-9/h2-7H,16H2,1H3,(H4,17,18,19,20)
InChIKeyOYIKUBCUDZBNAM-UHFFFAOYSA-N
XLogP2.35
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine?
The IUPAC name of 7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine (CID 56676459) is 7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine.
What is the SMILES notation for 7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine?
The canonical SMILES for 7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine is Cc1cc2c(N)nc(N)nc2cc1-c1ccc(N)cc1.
What is the InChIKey of 7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine?
The InChIKey is OYIKUBCUDZBNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-8-6-12-13(19-15(18)20-14(12)17)7-11(8)9-2-4-10(16)5-3-9/h2-7H,16H2,1H3,(H4,17,18,19,20).
What are the key properties of 7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine?
7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine has a molecular weight of 265.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminophenyl)-6-methylquinazoline-2,4-diamine is sourced from PubChem (CID 56676459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).