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

C15H20FN5O2 — CID 165385536

IUPAC4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCn1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1
InChIInChI=1S/C15H20FN5O2/c1-21-8-11(6-18-21)19-15-17-7-13(16)14(20-15)23-9-10-2-4-12(22)5-3-10/h6-8,10,12,22H,2-5,9H2,1H3,(H,17,19,20)
InChIKeyVBWYHMZHJNPKTP-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.02
Rot. Bonds5

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

4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (PubChem CID 165385536) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
PubChem CID165385536
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC Name4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCn1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1
InChIInChI=1S/C15H20FN5O2/c1-21-8-11(6-18-21)19-15-17-7-13(16)14(20-15)23-9-10-2-4-12(22)5-3-10/h6-8,10,12,22H,2-5,9H2,1H3,(H,17,19,20)
InChIKeyVBWYHMZHJNPKTP-UHFFFAOYSA-N
XLogP2.02
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-fluoro-2-[(1-methylpyrazol-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 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 224
CID 165385569
US11578061, Example 184
CID 165385587
US11578061, Example 255
CID 165385595

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (CID 165385536) is 4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is Cn1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1.
What is the InChIKey of 4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The InChIKey is VBWYHMZHJNPKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-21-8-11(6-18-21)19-15-17-7-13(16)14(20-15)23-9-10-2-4-12(22)5-3-10/h6-8,10,12,22H,2-5,9H2,1H3,(H,17,19,20).
What are the key properties of 4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
4-[[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol has a molecular weight of 321.36 g/mol, XLogP of 2.02, 5 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-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 165385536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).