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

C25H28F3N5O — CID 58398041

IUPAC2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
SMILESCc1cc(N2CCC(Cc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(C)(C)O)n3)CC2)ncn1
InChIInChI=1S/C25H28F3N5O/c1-16-12-23(30-15-29-16)33-10-8-17(9-11-33)13-22-31-20(14-21(32-22)24(2,3)34)18-4-6-19(7-5-18)25(26,27)28/h4-7,12,14-15,17,34H,8-11,13H2,1-3H3
InChIKeyXIZILCVMFSPDLC-UHFFFAOYSA-N
MW471.53 g/mol
LogP4.95
Rot. Bonds5

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

2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol (PubChem CID 58398041) has the molecular formula C25H28F3N5O and a molecular weight of 471.53 g/mol. Its IUPAC name is 2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
PubChem CID58398041
Molecular FormulaC25H28F3N5O
Molecular Weight471.53 g/mol
Exact Mass471.22
IUPAC Name2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
SMILESCc1cc(N2CCC(Cc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(C)(C)O)n3)CC2)ncn1
InChIInChI=1S/C25H28F3N5O/c1-16-12-23(30-15-29-16)33-10-8-17(9-11-33)13-22-31-20(14-21(32-22)24(2,3)34)18-4-6-19(7-5-18)25(26,27)28/h4-7,12,14-15,17,34H,8-11,13H2,1-3H3
InChIKeyXIZILCVMFSPDLC-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

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Related Compounds

[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 62218201
2-[2-[[(3R)-3-methyl-1-(2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
CID 162545529
8-(3,4-difluorophenyl)-6-fluoro-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 58397989
2-[2-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]amino]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol
CID 53353427
2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
CID 125423881
6-methyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126863989
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
6-pyridin-4-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942634
3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108773558
4-tert-butyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 118230557
4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine
CID 166612775

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol (CID 58398041) is 2-[2-[[1-(6-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-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol is Cc1cc(N2CCC(Cc3nc(-c4ccc(C(F)(F)F)cc4)cc(C(C)(C)O)n3)CC2)ncn1.
What is the InChIKey of 2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
The InChIKey is XIZILCVMFSPDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O/c1-16-12-23(30-15-29-16)33-10-8-17(9-11-33)13-22-31-20(14-21(32-22)24(2,3)34)18-4-6-19(7-5-18)25(26,27)28/h4-7,12,14-15,17,34H,8-11,13H2,1-3H3.
What are the key properties of 2-[2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol?
2-[2-[[1-(6-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-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-2-ol is sourced from PubChem (CID 58398041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).