4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

C18H26FN5O2 — CID 165385560

IUPAC4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCc1nn(C(C)C)cc1Nc1ncc(F)c(OCC2CCC(O)CC2)n1
InChIInChI=1S/C18H26FN5O2/c1-11(2)24-9-16(12(3)23-24)21-18-20-8-15(19)17(22-18)26-10-13-4-6-14(25)7-5-13/h8-9,11,13-14,25H,4-7,10H2,1-3H3,(H,20,21,22)
InChIKeyBJOMCWNDDDYKAV-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.38
Rot. Bonds6

About 4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (PubChem CID 165385560) has the molecular formula C18H26FN5O2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
PubChem CID165385560
Molecular FormulaC18H26FN5O2
Molecular Weight363.44 g/mol
Exact Mass363.21
IUPAC Name4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCc1nn(C(C)C)cc1Nc1ncc(F)c(OCC2CCC(O)CC2)n1
InChIInChI=1S/C18H26FN5O2/c1-11(2)24-9-16(12(3)23-24)21-18-20-8-15(19)17(22-18)26-10-13-4-6-14(25)7-5-13/h8-9,11,13-14,25H,4-7,10H2,1-3H3,(H,20,21,22)
InChIKeyBJOMCWNDDDYKAV-UHFFFAOYSA-N
XLogP3.38
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol with MolForge

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Related Compounds

US11578061, Example 217
CID 165385515
US11578061, Example 43
CID 165385516
US11578061, Example 220
CID 165385530
US11578061, Example 194
CID 165385531
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 196
CID 165385557

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (CID 165385560) is 4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is Cc1nn(C(C)C)cc1Nc1ncc(F)c(OCC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The InChIKey is BJOMCWNDDDYKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN5O2/c1-11(2)24-9-16(12(3)23-24)21-18-20-8-15(19)17(22-18)26-10-13-4-6-14(25)7-5-13/h8-9,11,13-14,25H,4-7,10H2,1-3H3,(H,20,21,22).
What are the key properties of 4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
4-[[5-fluoro-2-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol has a molecular weight of 363.44 g/mol, XLogP of 3.38, 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-[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 165385560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).