[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol

C12H18FN3O — CID 103705018

IUPAC[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCc1ncnc(NC2CCCCC2CO)c1F
InChIInChI=1S/C12H18FN3O/c1-8-11(13)12(15-7-14-8)16-10-5-3-2-4-9(10)6-17/h7,9-10,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyJUOPJQMBCFMIFF-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.89
Rot. Bonds3

About [2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol

[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 103705018) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is [2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID103705018
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCc1ncnc(NC2CCCCC2CO)c1F
InChIInChI=1S/C12H18FN3O/c1-8-11(13)12(15-7-14-8)16-10-5-3-2-4-9(10)6-17/h7,9-10,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyJUOPJQMBCFMIFF-UHFFFAOYSA-N
XLogP1.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol (CID 103705018) is [2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol is Cc1ncnc(NC2CCCCC2CO)c1F.
What is the InChIKey of [2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is JUOPJQMBCFMIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8-11(13)12(15-7-14-8)16-10-5-3-2-4-9(10)6-17/h7,9-10,17H,2-6H2,1H3,(H,14,15,16).
What are the key properties of [2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
[2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 239.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 103705018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).