4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol

C11H16FN3O — CID 103634700

IUPAC4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCc1ncnc(NC2CCC(O)CC2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15-8-2-4-9(16)5-3-8/h6,8-9,16H,2-5H2,1H3,(H,13,14,15)
InChIKeyXOIHNSIKNYPUIQ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.64
Rot. Bonds2

About 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol

4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 103634700) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID103634700
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESCc1ncnc(NC2CCC(O)CC2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15-8-2-4-9(16)5-3-8/h6,8-9,16H,2-5H2,1H3,(H,13,14,15)
InChIKeyXOIHNSIKNYPUIQ-UHFFFAOYSA-N
XLogP1.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol (CID 103634700) is 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol is Cc1ncnc(NC2CCC(O)CC2)c1F.
What is the InChIKey of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is XOIHNSIKNYPUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15-8-2-4-9(16)5-3-8/h6,8-9,16H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 225.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 103634700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).