2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol

C20H19F3N4O2 — CID 118431481

IUPAC2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol
SMILESCC(C)(C)C(O)(c1cncnc1)c1ccc(-c2ccc(OC(F)(F)F)cn2)cn1
InChIInChI=1S/C20H19F3N4O2/c1-18(2,3)19(28,14-9-24-12-25-10-14)17-7-4-13(8-27-17)16-6-5-15(11-26-16)29-20(21,22)23/h4-12,28H,1-3H3
InChIKeyAXUPAFIMUQJFSI-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.11
Rot. Bonds4

About 2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol

2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol (PubChem CID 118431481) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol
PubChem CID118431481
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol
SMILESCC(C)(C)C(O)(c1cncnc1)c1ccc(-c2ccc(OC(F)(F)F)cn2)cn1
InChIInChI=1S/C20H19F3N4O2/c1-18(2,3)19(28,14-9-24-12-25-10-14)17-7-4-13(8-27-17)16-6-5-15(11-26-16)29-20(21,22)23/h4-12,28H,1-3H3
InChIKeyAXUPAFIMUQJFSI-UHFFFAOYSA-N
XLogP4.11
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-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-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol (CID 118431481) is 2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol is CC(C)(C)C(O)(c1cncnc1)c1ccc(-c2ccc(OC(F)(F)F)cn2)cn1.
What is the InChIKey of 2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol?
The InChIKey is AXUPAFIMUQJFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-18(2,3)19(28,14-9-24-12-25-10-14)17-7-4-13(8-27-17)16-6-5-15(11-26-16)29-20(21,22)23/h4-12,28H,1-3H3.
What are the key properties of 2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol?
2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol has a molecular weight of 404.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-pyrimidin-5-yl-1-[5-[5-(trifluoromethoxy)-2-pyridinyl]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 118431481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).