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

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Related Compounds

4-methyl-2-(quinazolin-4-ylamino)phenol
CID 725411
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]quinazolin-4-amine
CID 67700032
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
4-methyl-3-(quinazolin-4-ylamino)benzoic acid
CID 110434771
4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
CID 19143332
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
CID 2057502
2-N-quinazolin-4-ylbenzene-1,2-diamine
CID 21190751
methyl 4-(2,4-dimethylanilino)quinazoline-2-carboxylate
CID 139207867
N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964365

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).