4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline

C23H19F3N6 — CID 46086187

IUPAC4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline
SMILESFC(F)(F)c1ccccc1-c1nc(N2CCN(c3ncccn3)CC2)c2ccccc2n1
InChIInChI=1S/C23H19F3N6/c24-23(25,26)18-8-3-1-6-16(18)20-29-19-9-4-2-7-17(19)21(30-20)31-12-14-32(15-13-31)22-27-10-5-11-28-22/h1-11H,12-15H2
InChIKeyIIVNIJXIUMNKKN-UHFFFAOYSA-N
MW436.44 g/mol
LogP4.43
Rot. Bonds3

About 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline

4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline (PubChem CID 46086187) has the molecular formula C23H19F3N6 and a molecular weight of 436.44 g/mol. Its IUPAC name is 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline.

Molecular Properties

Compound Name4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline
PubChem CID46086187
Molecular FormulaC23H19F3N6
Molecular Weight436.44 g/mol
Exact Mass436.16
IUPAC Name4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline
SMILESFC(F)(F)c1ccccc1-c1nc(N2CCN(c3ncccn3)CC2)c2ccccc2n1
InChIInChI=1S/C23H19F3N6/c24-23(25,26)18-8-3-1-6-16(18)20-29-19-9-4-2-7-17(19)21(30-20)31-12-14-32(15-13-31)22-27-10-5-11-28-22/h1-11H,12-15H2
InChIKeyIIVNIJXIUMNKKN-UHFFFAOYSA-N
XLogP4.43
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ngd-8243
CID 11247522
Sri-9439
CID 446752
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
[N-(2,4-Diaminopteridin-6-YL)-methyl]-dibenz[B,F]azepine
CID 446744
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline?
The IUPAC name of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline (CID 46086187) is 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline.
What is the SMILES notation for 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline?
The canonical SMILES for 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline is FC(F)(F)c1ccccc1-c1nc(N2CCN(c3ncccn3)CC2)c2ccccc2n1.
What is the InChIKey of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline?
The InChIKey is IIVNIJXIUMNKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6/c24-23(25,26)18-8-3-1-6-16(18)20-29-19-9-4-2-7-17(19)21(30-20)31-12-14-32(15-13-31)22-27-10-5-11-28-22/h1-11H,12-15H2.
What are the key properties of 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline?
4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline has a molecular weight of 436.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline is sourced from PubChem (CID 46086187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).