N-(2,4-dimethylphenyl)quinazolin-4-amine

C16H15N3 — CID 2806519

IUPACN-(2,4-dimethylphenyl)quinazolin-4-amine
SMILESCc1ccc(Nc2ncnc3ccccc23)c(C)c1
InChIInChI=1S/C16H15N3/c1-11-7-8-14(12(2)9-11)19-16-13-5-3-4-6-15(13)17-10-18-16/h3-10H,1-2H3,(H,17,18,19)
InChIKeyVZXAWWJSZBRUCB-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.99
Rot. Bonds2

About N-(2,4-dimethylphenyl)quinazolin-4-amine

N-(2,4-dimethylphenyl)quinazolin-4-amine (PubChem CID 2806519) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)quinazolin-4-amine
PubChem CID2806519
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-(2,4-dimethylphenyl)quinazolin-4-amine
SMILESCc1ccc(Nc2ncnc3ccccc23)c(C)c1
InChIInChI=1S/C16H15N3/c1-11-7-8-14(12(2)9-11)19-16-13-5-3-4-6-15(13)17-10-18-16/h3-10H,1-2H3,(H,17,18,19)
InChIKeyVZXAWWJSZBRUCB-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylphenyl)quinazolin-4-amine 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 N-(2,4-dimethylphenyl)quinazolin-4-amine?
The IUPAC name of N-(2,4-dimethylphenyl)quinazolin-4-amine (CID 2806519) is N-(2,4-dimethylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)quinazolin-4-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)quinazolin-4-amine is Cc1ccc(Nc2ncnc3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)quinazolin-4-amine?
The InChIKey is VZXAWWJSZBRUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-7-8-14(12(2)9-11)19-16-13-5-3-4-6-15(13)17-10-18-16/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-(2,4-dimethylphenyl)quinazolin-4-amine?
N-(2,4-dimethylphenyl)quinazolin-4-amine has a molecular weight of 249.32 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)quinazolin-4-amine is sourced from PubChem (CID 2806519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).