N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine

C25H24F3N5 — CID 175833997

IUPACN-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccccc1-c1nccc(NCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)n1
InChIInChI=1S/C25H24F3N5/c1-16(2)19-6-4-5-7-20(19)23-29-13-12-22(32-23)30-14-17-8-10-18(11-9-17)24-31-21(15-33(24)3)25(26,27)28/h4-13,15-16H,14H2,1-3H3,(H,29,30,32)
InChIKeyNORFAJTURZWUHB-UHFFFAOYSA-N
MW451.50 g/mol
LogP6.30
Rot. Bonds6

About N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine

N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 175833997) has the molecular formula C25H24F3N5 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID175833997
Molecular FormulaC25H24F3N5
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC NameN-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCC(C)c1ccccc1-c1nccc(NCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)n1
InChIInChI=1S/C25H24F3N5/c1-16(2)19-6-4-5-7-20(19)23-29-13-12-22(32-23)30-14-17-8-10-18(11-9-17)24-31-21(15-33(24)3)25(26,27)28/h4-13,15-16H,14H2,1-3H3,(H,29,30,32)
InChIKeyNORFAJTURZWUHB-UHFFFAOYSA-N
XLogP6.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.50
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine (CID 175833997) is N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine is CC(C)c1ccccc1-c1nccc(NCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)n1.
What is the InChIKey of N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is NORFAJTURZWUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5/c1-16(2)19-6-4-5-7-20(19)23-29-13-12-22(32-23)30-14-17-8-10-18(11-9-17)24-31-21(15-33(24)3)25(26,27)28/h4-13,15-16H,14H2,1-3H3,(H,29,30,32).
What are the key properties of N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 451.50 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 175833997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).