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

C12H18FN3O — CID 106130324

IUPAC4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1ncnc(NCC2CCC(O)CC2)c1F
InChIInChI=1S/C12H18FN3O/c1-8-11(13)12(16-7-15-8)14-6-9-2-4-10(17)5-3-9/h7,9-10,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyKZYKXKFFTIDIPV-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.89
Rot. Bonds3

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

4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106130324) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106130324
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1ncnc(NCC2CCC(O)CC2)c1F
InChIInChI=1S/C12H18FN3O/c1-8-11(13)12(16-7-15-8)14-6-9-2-4-10(17)5-3-9/h7,9-10,17H,2-6H2,1H3,(H,14,15,16)
InChIKeyKZYKXKFFTIDIPV-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 4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106130324) is 4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is Cc1ncnc(NCC2CCC(O)CC2)c1F.
What is the InChIKey of 4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KZYKXKFFTIDIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8-11(13)12(16-7-15-8)14-6-9-2-4-10(17)5-3-9/h7,9-10,17H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol 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 4-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106130324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).