[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

C13H20FN3O — CID 113252384

IUPAC[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCc1ncnc(NCC2(CO)CCCCC2)c1F
InChIInChI=1S/C13H20FN3O/c1-10-11(14)12(17-9-16-10)15-7-13(8-18)5-3-2-4-6-13/h9,18H,2-8H2,1H3,(H,15,16,17)
InChIKeyOILWPFNPAMOKJU-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.28
Rot. Bonds4

About [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 113252384) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID113252384
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCc1ncnc(NCC2(CO)CCCCC2)c1F
InChIInChI=1S/C13H20FN3O/c1-10-11(14)12(17-9-16-10)15-7-13(8-18)5-3-2-4-6-13/h9,18H,2-8H2,1H3,(H,15,16,17)
InChIKeyOILWPFNPAMOKJU-UHFFFAOYSA-N
XLogP2.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[3-[(5-Fluoro-2,6-dimethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 132386722
N-(3,3-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 102809541
3-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103269839
4-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 103634700
2-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 103688475
3-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 103703465
N-(4,4-dimethylcyclohexyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103703544
[2-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 103703711
3-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703927
2-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103704222
4-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 103704710
[2-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 103705018

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (CID 113252384) is [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is Cc1ncnc(NCC2(CO)CCCCC2)c1F.
What is the InChIKey of [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is OILWPFNPAMOKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-10-11(14)12(17-9-16-10)15-7-13(8-18)5-3-2-4-6-13/h9,18H,2-8H2,1H3,(H,15,16,17).
What are the key properties of [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 253.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 113252384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).