N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine

C24H18ClF3N4O — CID 71542880

IUPACN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1ccccc1Oc1cnc(-c2ccccn2)nc1NCc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C24H18ClF3N4O/c1-15-6-2-3-8-20(15)33-21-14-31-22(19-7-4-5-11-29-19)32-23(21)30-13-16-9-10-17(25)12-18(16)24(26,27)28/h2-12,14H,13H2,1H3,(H,30,31,32)
InChIKeyOOQLGAHMCNPJOB-UHFFFAOYSA-N
MW470.88 g/mol
LogP6.92
Rot. Bonds6

About N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine

N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 71542880) has the molecular formula C24H18ClF3N4O and a molecular weight of 470.88 g/mol. Its IUPAC name is N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID71542880
Molecular FormulaC24H18ClF3N4O
Molecular Weight470.88 g/mol
Exact Mass470.11
IUPAC NameN-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1ccccc1Oc1cnc(-c2ccccn2)nc1NCc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C24H18ClF3N4O/c1-15-6-2-3-8-20(15)33-21-14-31-22(19-7-4-5-11-29-19)32-23(21)30-13-16-9-10-17(25)12-18(16)24(26,27)28/h2-12,14H,13H2,1H3,(H,30,31,32)
InChIKeyOOQLGAHMCNPJOB-UHFFFAOYSA-N
XLogP6.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.88
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine (CID 71542880) is N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine is Cc1ccccc1Oc1cnc(-c2ccccn2)nc1NCc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is OOQLGAHMCNPJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N4O/c1-15-6-2-3-8-20(15)33-21-14-31-22(19-7-4-5-11-29-19)32-23(21)30-13-16-9-10-17(25)12-18(16)24(26,27)28/h2-12,14H,13H2,1H3,(H,30,31,32).
What are the key properties of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine?
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 470.88 g/mol, XLogP of 6.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methylphenoxy)-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 71542880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).