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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Related Compounds

2-(4-ethynylphenyl)quinazolin-4-amine
CID 89358101
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
4-(azepan-1-yl)-2-(4-tert-butylphenyl)quinazoline
CID 23852302
2-(4,6-dimethylpyrimidin-2-yl)quinazolin-4-amine
CID 10610759
2-pyrimidin-2-ylquinazolin-4-amine
CID 173199293
2-(3-chloro-5-methylphenyl)quinazolin-4-amine
CID 81324898
4-(4-tert-butylphenyl)-14-phenyl-3,5,13,15,28,30-hexazahexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(25),2(30),3,5,7,9,11(29),12,14,16(28),17,19,21(27),22(26),23-pentadecaene
CID 134507698
2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 155732079
2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 7728865
(2R)-2-[[2-(4-tert-butylphenyl)quinazolin-4-yl]amino]-3-methylbutanoate
CID 7728907
2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 2790095
2-(3-ethynylphenyl)quinazolin-4-amine
CID 141438841

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).