4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

C17H24FN5O2 — CID 165385534

IUPAC4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCCc1nn(C)cc1Nc1ncc(F)c(OCC2CCC(O)CC2)n1
InChIInChI=1S/C17H24FN5O2/c1-3-14-15(9-23(2)22-14)20-17-19-8-13(18)16(21-17)25-10-11-4-6-12(24)7-5-11/h8-9,11-12,24H,3-7,10H2,1-2H3,(H,19,20,21)
InChIKeyFKEOSOMNQMOWMN-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.59
Rot. Bonds6

About 4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (PubChem CID 165385534) has the molecular formula C17H24FN5O2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
PubChem CID165385534
Molecular FormulaC17H24FN5O2
Molecular Weight349.41 g/mol
Exact Mass349.19
IUPAC Name4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCCc1nn(C)cc1Nc1ncc(F)c(OCC2CCC(O)CC2)n1
InChIInChI=1S/C17H24FN5O2/c1-3-14-15(9-23(2)22-14)20-17-19-8-13(18)16(21-17)25-10-11-4-6-12(24)7-5-11/h8-9,11-12,24H,3-7,10H2,1-2H3,(H,19,20,21)
InChIKeyFKEOSOMNQMOWMN-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (CID 165385534) is 4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is CCc1nn(C)cc1Nc1ncc(F)c(OCC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The InChIKey is FKEOSOMNQMOWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O2/c1-3-14-15(9-23(2)22-14)20-17-19-8-13(18)16(21-17)25-10-11-4-6-12(24)7-5-11/h8-9,11-12,24H,3-7,10H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol has a molecular weight of 349.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 165385534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).