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

C26H27N3 — CID 7728865

IUPAC2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine
SMILESCc1ccc(Nc2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)c(C)c1
InChIInChI=1S/C26H27N3/c1-17-10-15-22(18(2)16-17)27-25-21-8-6-7-9-23(21)28-24(29-25)19-11-13-20(14-12-19)26(3,4)5/h6-16H,1-5H3,(H,27,28,29)
InChIKeyLUUBZQWZPFGZGA-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.95
Rot. Bonds3

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

2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine (PubChem CID 7728865) has the molecular formula C26H27N3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine
PubChem CID7728865
Molecular FormulaC26H27N3
Molecular Weight381.52 g/mol
Exact Mass381.22
IUPAC Name2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine
SMILESCc1ccc(Nc2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)c(C)c1
InChIInChI=1S/C26H27N3/c1-17-10-15-22(18(2)16-17)27-25-21-8-6-7-9-23(21)28-24(29-25)19-11-13-20(14-12-19)26(3,4)5/h6-16H,1-5H3,(H,27,28,29)
InChIKeyLUUBZQWZPFGZGA-UHFFFAOYSA-N
XLogP6.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
CID 2057502
N-(2,4-dimethylphenyl)-2-thiophen-2-ylquinazolin-4-amine
CID 91964365
2-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 172913768
2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 2790095
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 2806519
methyl 4-(2,4-dimethylanilino)quinazoline-2-carboxylate
CID 139207867
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
2-(4-tert-butylphenyl)quinazolin-4-amine
CID 23762885
2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine
CID 159596198
N-(2-bromo-4-methylphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 3428781
(2R)-2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]-3-methylbutanoate
CID 7728907

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine (CID 7728865) is 2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine is Cc1ccc(Nc2nc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)c(C)c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine?
The InChIKey is LUUBZQWZPFGZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3/c1-17-10-15-22(18(2)16-17)27-25-21-8-6-7-9-23(21)28-24(29-25)19-11-13-20(14-12-19)26(3,4)5/h6-16H,1-5H3,(H,27,28,29).
What are the key properties of 2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine?
2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine has a molecular weight of 381.52 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine is sourced from PubChem (CID 7728865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).