4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

C17H22FN5O3 — CID 165385608

IUPAC4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESOC1CCC(COc2nc(Nc3cnn(C4COC4)c3)ncc2F)CC1
InChIInChI=1S/C17H22FN5O3/c18-15-6-19-17(21-12-5-20-23(7-12)13-9-25-10-13)22-16(15)26-8-11-1-3-14(24)4-2-11/h5-7,11,13-14,24H,1-4,8-10H2,(H,19,21,22)
InChIKeyMVFHDQCHLHNDLK-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.06
Rot. Bonds6

About 4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (PubChem CID 165385608) has the molecular formula C17H22FN5O3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
PubChem CID165385608
Molecular FormulaC17H22FN5O3
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESOC1CCC(COc2nc(Nc3cnn(C4COC4)c3)ncc2F)CC1
InChIInChI=1S/C17H22FN5O3/c18-15-6-19-17(21-12-5-20-23(7-12)13-9-25-10-13)22-16(15)26-8-11-1-3-14(24)4-2-11/h5-7,11,13-14,24H,1-4,8-10H2,(H,19,21,22)
InChIKeyMVFHDQCHLHNDLK-UHFFFAOYSA-N
XLogP2.06
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (CID 165385608) is 4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is OC1CCC(COc2nc(Nc3cnn(C4COC4)c3)ncc2F)CC1.
What is the InChIKey of 4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The InChIKey is MVFHDQCHLHNDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O3/c18-15-6-19-17(21-12-5-20-23(7-12)13-9-25-10-13)22-16(15)26-8-11-1-3-14(24)4-2-11/h5-7,11,13-14,24H,1-4,8-10H2,(H,19,21,22).
What are the key properties of 4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol has a molecular weight of 363.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 165385608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).