2-(4-tert-butylphenyl)quinazolin-4-amine

C18H19N3 — CID 23762885

IUPAC2-(4-tert-butylphenyl)quinazolin-4-amine
SMILESCC(C)(C)c1ccc(-c2nc(N)c3ccccc3n2)cc1
InChIInChI=1S/C18H19N3/c1-18(2,3)13-10-8-12(9-11-13)17-20-15-7-5-4-6-14(15)16(19)21-17/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyTXMATUXOYRMKFU-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.18
Rot. Bonds1

About 2-(4-tert-butylphenyl)quinazolin-4-amine

2-(4-tert-butylphenyl)quinazolin-4-amine (PubChem CID 23762885) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)quinazolin-4-amine
PubChem CID23762885
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-(4-tert-butylphenyl)quinazolin-4-amine
SMILESCC(C)(C)c1ccc(-c2nc(N)c3ccccc3n2)cc1
InChIInChI=1S/C18H19N3/c1-18(2,3)13-10-8-12(9-11-13)17-20-15-7-5-4-6-14(15)16(19)21-17/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyTXMATUXOYRMKFU-UHFFFAOYSA-N
XLogP4.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)quinazolin-4-amine?
The IUPAC name of 2-(4-tert-butylphenyl)quinazolin-4-amine (CID 23762885) is 2-(4-tert-butylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)quinazolin-4-amine is CC(C)(C)c1ccc(-c2nc(N)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)quinazolin-4-amine?
The InChIKey is TXMATUXOYRMKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-18(2,3)13-10-8-12(9-11-13)17-20-15-7-5-4-6-14(15)16(19)21-17/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 2-(4-tert-butylphenyl)quinazolin-4-amine?
2-(4-tert-butylphenyl)quinazolin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)quinazolin-4-amine is sourced from PubChem (CID 23762885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).