2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol

C20H30FN5O2 — CID 165385595

IUPAC2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol
SMILESCC(C)n1cc(Nc2ncc(F)c(OCC3CCC(C(C)(C)O)CC3)n2)cn1
InChIInChI=1S/C20H30FN5O2/c1-13(2)26-11-16(9-23-26)24-19-22-10-17(21)18(25-19)28-12-14-5-7-15(8-6-14)20(3,4)27/h9-11,13-15,27H,5-8,12H2,1-4H3,(H,22,24,25)
InChIKeyKCMBEBCIZRUFBP-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.09
Rot. Bonds7

About 2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol

2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol (PubChem CID 165385595) has the molecular formula C20H30FN5O2 and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol
PubChem CID165385595
Molecular FormulaC20H30FN5O2
Molecular Weight391.49 g/mol
Exact Mass391.24
IUPAC Name2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol
SMILESCC(C)n1cc(Nc2ncc(F)c(OCC3CCC(C(C)(C)O)CC3)n2)cn1
InChIInChI=1S/C20H30FN5O2/c1-13(2)26-11-16(9-23-26)24-19-22-10-17(21)18(25-19)28-12-14-5-7-15(8-6-14)20(3,4)27/h9-11,13-15,27H,5-8,12H2,1-4H3,(H,22,24,25)
InChIKeyKCMBEBCIZRUFBP-UHFFFAOYSA-N
XLogP4.09
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol?
The IUPAC name of 2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol (CID 165385595) is 2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol?
The canonical SMILES for 2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol is CC(C)n1cc(Nc2ncc(F)c(OCC3CCC(C(C)(C)O)CC3)n2)cn1.
What is the InChIKey of 2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol?
The InChIKey is KCMBEBCIZRUFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN5O2/c1-13(2)26-11-16(9-23-26)24-19-22-10-17(21)18(25-19)28-12-14-5-7-15(8-6-14)20(3,4)27/h9-11,13-15,27H,5-8,12H2,1-4H3,(H,22,24,25).
What are the key properties of 2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol?
2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol has a molecular weight of 391.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol is sourced from PubChem (CID 165385595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).