3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol

C12H20FN3O — CID 103705151

IUPAC3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncnc(C)c1F
InChIInChI=1S/C12H20FN3O/c1-3-4-10(5-6-17)7-14-12-11(13)9(2)15-8-16-12/h8,10,17H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyOIFIRBZEZXPJIE-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.13
Rot. Bonds7

About 3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol

3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 103705151) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID103705151
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncnc(C)c1F
InChIInChI=1S/C12H20FN3O/c1-3-4-10(5-6-17)7-14-12-11(13)9(2)15-8-16-12/h8,10,17H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyOIFIRBZEZXPJIE-UHFFFAOYSA-N
XLogP2.13
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 103705151) is 3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1ncnc(C)c1F.
What is the InChIKey of 3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is OIFIRBZEZXPJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-3-4-10(5-6-17)7-14-12-11(13)9(2)15-8-16-12/h8,10,17H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 103705151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).