4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

C16H21F2N5O2 — CID 165385569

IUPAC4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESOC1CCC(COc2nc(Nc3cnn(CCF)c3)ncc2F)CC1
InChIInChI=1S/C16H21F2N5O2/c17-5-6-23-9-12(7-20-23)21-16-19-8-14(18)15(22-16)25-10-11-1-3-13(24)4-2-11/h7-9,11,13,24H,1-6,10H2,(H,19,21,22)
InChIKeyYHLSRCUEUAKRPY-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.46
Rot. Bonds7

About 4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (PubChem CID 165385569) has the molecular formula C16H21F2N5O2 and a molecular weight of 353.37 g/mol. Its IUPAC name is 4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
PubChem CID165385569
Molecular FormulaC16H21F2N5O2
Molecular Weight353.37 g/mol
Exact Mass353.17
IUPAC Name4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESOC1CCC(COc2nc(Nc3cnn(CCF)c3)ncc2F)CC1
InChIInChI=1S/C16H21F2N5O2/c17-5-6-23-9-12(7-20-23)21-16-19-8-14(18)15(22-16)25-10-11-1-3-13(24)4-2-11/h7-9,11,13,24H,1-6,10H2,(H,19,21,22)
InChIKeyYHLSRCUEUAKRPY-UHFFFAOYSA-N
XLogP2.46
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-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

Related Compounds

US11578061, Example 217
CID 165385515
US11578061, Example 220
CID 165385530
US11578061, Example 262
CID 165385533
US11578061, Example 233
CID 165385534
US11578061, Example 216
CID 165385536
US11578061, Example 236
CID 165385539
US11578061, Example 218
CID 165385553
US11578061, Example 263
CID 165385554
US11578061, Example 234
CID 165385555
US11578061, Example 230
CID 165385560
US11578061, Example 221
CID 165385562
US11578061, Example 184
CID 165385587

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (CID 165385569) is 4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is OC1CCC(COc2nc(Nc3cnn(CCF)c3)ncc2F)CC1.
What is the InChIKey of 4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The InChIKey is YHLSRCUEUAKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5O2/c17-5-6-23-9-12(7-20-23)21-16-19-8-14(18)15(22-16)25-10-11-1-3-13(24)4-2-11/h7-9,11,13,24H,1-6,10H2,(H,19,21,22).
What are the key properties of 4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol has a molecular weight of 353.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 165385569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).