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

C17H24FN5O2 — CID 165385553

IUPAC4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCC(C)n1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1
InChIInChI=1S/C17H24FN5O2/c1-11(2)23-9-13(7-20-23)21-17-19-8-15(18)16(22-17)25-10-12-3-5-14(24)6-4-12/h7-9,11-12,14,24H,3-6,10H2,1-2H3,(H,19,21,22)
InChIKeyRMUOXBFWBNPQOA-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.07
Rot. Bonds6

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

4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (PubChem CID 165385553) has the molecular formula C17H24FN5O2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
PubChem CID165385553
Molecular FormulaC17H24FN5O2
Molecular Weight349.41 g/mol
Exact Mass349.19
IUPAC Name4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCC(C)n1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1
InChIInChI=1S/C17H24FN5O2/c1-11(2)23-9-13(7-20-23)21-17-19-8-15(18)16(22-17)25-10-12-3-5-14(24)6-4-12/h7-9,11-12,14,24H,3-6,10H2,1-2H3,(H,19,21,22)
InChIKeyRMUOXBFWBNPQOA-UHFFFAOYSA-N
XLogP3.07
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (CID 165385553) is 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is CC(C)n1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1.
What is the InChIKey of 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The InChIKey is RMUOXBFWBNPQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O2/c1-11(2)23-9-13(7-20-23)21-17-19-8-15(18)16(22-17)25-10-12-3-5-14(24)6-4-12/h7-9,11-12,14,24H,3-6,10H2,1-2H3,(H,19,21,22).
What are the key properties of 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol has a molecular weight of 349.41 g/mol, XLogP of 3.07, 6 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-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 165385553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).