N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

C25H23F3N4 — CID 10216740

IUPACN-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1
InChIInChI=1S/C25H23F3N4/c1-15-30-21-14-16(22-20(25(26,27)28)6-5-13-29-22)7-12-19(21)23(31-15)32-18-10-8-17(9-11-18)24(2,3)4/h5-14H,1-4H3,(H,30,31,32)
InChIKeyBNBIXRPBVDXRBK-UHFFFAOYSA-N
MW436.48 g/mol
LogP7.06
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (PubChem CID 10216740) has the molecular formula C25H23F3N4 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
PubChem CID10216740
Molecular FormulaC25H23F3N4
Molecular Weight436.48 g/mol
Exact Mass436.19
IUPAC NameN-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCc1nc(Nc2ccc(C(C)(C)C)cc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1
InChIInChI=1S/C25H23F3N4/c1-15-30-21-14-16(22-20(25(26,27)28)6-5-13-29-22)7-12-19(21)23(31-15)32-18-10-8-17(9-11-18)24(2,3)4/h5-14H,1-4H3,(H,30,31,32)
InChIKeyBNBIXRPBVDXRBK-UHFFFAOYSA-N
XLogP7.06
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine with MolForge

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Related Compounds

Ngd-8243
CID 11247522
Ly-3009120
CID 71721540
Crozbaciclib
CID 129202507
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (CID 10216740) is N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is Cc1nc(Nc2ccc(C(C)(C)C)cc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The InChIKey is BNBIXRPBVDXRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4/c1-15-30-21-14-16(22-20(25(26,27)28)6-5-13-29-22)7-12-19(21)23(31-15)32-18-10-8-17(9-11-18)24(2,3)4/h5-14H,1-4H3,(H,30,31,32).
What are the key properties of N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine has a molecular weight of 436.48 g/mol, XLogP of 7.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 10216740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).