7-(4-aminophenyl)quinazoline-2,4-diamine

C14H13N5 — CID 56669624

IUPAC7-(4-aminophenyl)quinazoline-2,4-diamine
SMILESNc1ccc(-c2ccc3c(N)nc(N)nc3c2)cc1
InChIInChI=1S/C14H13N5/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-14(17)19-13(11)16/h1-7H,15H2,(H4,16,17,18,19)
InChIKeyVDZFKJHFXFCADG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.04
Rot. Bonds1

About 7-(4-aminophenyl)quinazoline-2,4-diamine

7-(4-aminophenyl)quinazoline-2,4-diamine (PubChem CID 56669624) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-(4-aminophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(4-aminophenyl)quinazoline-2,4-diamine
PubChem CID56669624
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name7-(4-aminophenyl)quinazoline-2,4-diamine
SMILESNc1ccc(-c2ccc3c(N)nc(N)nc3c2)cc1
InChIInChI=1S/C14H13N5/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-14(17)19-13(11)16/h1-7H,15H2,(H4,16,17,18,19)
InChIKeyVDZFKJHFXFCADG-UHFFFAOYSA-N
XLogP2.04
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.04
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)quinazoline-2,4-diamine?
The IUPAC name of 7-(4-aminophenyl)quinazoline-2,4-diamine (CID 56669624) is 7-(4-aminophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(4-aminophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(4-aminophenyl)quinazoline-2,4-diamine is Nc1ccc(-c2ccc3c(N)nc(N)nc3c2)cc1.
What is the InChIKey of 7-(4-aminophenyl)quinazoline-2,4-diamine?
The InChIKey is VDZFKJHFXFCADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-14(17)19-13(11)16/h1-7H,15H2,(H4,16,17,18,19).
What are the key properties of 7-(4-aminophenyl)quinazoline-2,4-diamine?
7-(4-aminophenyl)quinazoline-2,4-diamine has a molecular weight of 251.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 56669624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).