4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol

C16H22FN5O2 — CID 165385515

IUPAC4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCCn1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1
InChIInChI=1S/C16H22FN5O2/c1-2-22-9-12(7-19-22)20-16-18-8-14(17)15(21-16)24-10-11-3-5-13(23)6-4-11/h7-9,11,13,23H,2-6,10H2,1H3,(H,18,20,21)
InChIKeyMJTPNPKFRLDRSB-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.51
Rot. Bonds6

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

4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (PubChem CID 165385515) has the molecular formula C16H22FN5O2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
PubChem CID165385515
Molecular FormulaC16H22FN5O2
Molecular Weight335.38 g/mol
Exact Mass335.18
IUPAC Name4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
SMILESCCn1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1
InChIInChI=1S/C16H22FN5O2/c1-2-22-9-12(7-19-22)20-16-18-8-14(17)15(21-16)24-10-11-3-5-13(23)6-4-11/h7-9,11,13,23H,2-6,10H2,1H3,(H,18,20,21)
InChIKeyMJTPNPKFRLDRSB-UHFFFAOYSA-N
XLogP2.51
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-[(1-ethylpyrazol-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-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol (CID 165385515) is 4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is CCn1cc(Nc2ncc(F)c(OCC3CCC(O)CC3)n2)cn1.
What is the InChIKey of 4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
The InChIKey is MJTPNPKFRLDRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O2/c1-2-22-9-12(7-19-22)20-16-18-8-14(17)15(21-16)24-10-11-3-5-13(23)6-4-11/h7-9,11,13,23H,2-6,10H2,1H3,(H,18,20,21).
What are the key properties of 4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol?
4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol has a molecular weight of 335.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-ethylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 165385515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).