2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol

C25H28F3N5O — CID 58397924

IUPAC2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
SMILESCc1nccc(N2CCC(Cc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(C)(C)O)n3)CC2)n1
InChIInChI=1S/C25H28F3N5O/c1-16-29-11-8-23(30-16)33-12-9-17(10-13-33)14-22-31-20(15-21(32-22)24(2,3)34)18-4-6-19(7-5-18)25(26,27)28/h4-8,11,15,17,34H,9-10,12-14H2,1-3H3
InChIKeyFUOKAZMUEDHJPU-UHFFFAOYSA-N
MW471.53 g/mol
LogP4.95
Rot. Bonds5

About 2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol

2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol (PubChem CID 58397924) has the molecular formula C25H28F3N5O and a molecular weight of 471.53 g/mol. Its IUPAC name is 2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
PubChem CID58397924
Molecular FormulaC25H28F3N5O
Molecular Weight471.53 g/mol
Exact Mass471.22
IUPAC Name2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
SMILESCc1nccc(N2CCC(Cc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(C)(C)O)n3)CC2)n1
InChIInChI=1S/C25H28F3N5O/c1-16-29-11-8-23(30-16)33-12-9-17(10-13-33)14-22-31-20(15-21(32-22)24(2,3)34)18-4-6-19(7-5-18)25(26,27)28/h4-8,11,15,17,34H,9-10,12-14H2,1-3H3
InChIKeyFUOKAZMUEDHJPU-UHFFFAOYSA-N
XLogP4.95
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol 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-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol (CID 58397924) is 2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol is Cc1nccc(N2CCC(Cc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(C)(C)O)n3)CC2)n1.
What is the InChIKey of 2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
The InChIKey is FUOKAZMUEDHJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O/c1-16-29-11-8-23(30-16)33-12-9-17(10-13-33)14-22-31-20(15-21(32-22)24(2,3)34)18-4-6-19(7-5-18)25(26,27)28/h4-8,11,15,17,34H,9-10,12-14H2,1-3H3.
What are the key properties of 2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol has a molecular weight of 471.53 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol is sourced from PubChem (CID 58397924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).