2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine

C22H20F3N3O2 — CID 90182127

IUPAC2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine
SMILESCc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2cccc(OC(F)(F)F)c2)nc1
InChIInChI=1S/C22H20F3N3O2/c1-13-6-7-20(27-10-13)18-9-16(18)12-29-21-19(11-26-14(2)28-21)15-4-3-5-17(8-15)30-22(23,24)25/h3-8,10-11,16,18H,9,12H2,1-2H3/t16-,18?/m1/s1
InChIKeySCZIOWHCTUQZLK-PYUWXLGESA-N
MW415.42 g/mol
LogP5.24
Rot. Bonds6

About 2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine

2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 90182127) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID90182127
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine
SMILESCc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2cccc(OC(F)(F)F)c2)nc1
InChIInChI=1S/C22H20F3N3O2/c1-13-6-7-20(27-10-13)18-9-16(18)12-29-21-19(11-26-14(2)28-21)15-4-3-5-17(8-15)30-22(23,24)25/h3-8,10-11,16,18H,9,12H2,1-2H3/t16-,18?/m1/s1
InChIKeySCZIOWHCTUQZLK-PYUWXLGESA-N
XLogP5.24
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine 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 2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine (CID 90182127) is 2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine is Cc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2cccc(OC(F)(F)F)c2)nc1.
What is the InChIKey of 2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is SCZIOWHCTUQZLK-PYUWXLGESA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-13-6-7-20(27-10-13)18-9-16(18)12-29-21-19(11-26-14(2)28-21)15-4-3-5-17(8-15)30-22(23,24)25/h3-8,10-11,16,18H,9,12H2,1-2H3/t16-,18?/m1/s1.
What are the key properties of 2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine?
2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 415.42 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(1S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-5-[3-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 90182127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).