3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol

C13H22FN3O — CID 113344426

IUPAC3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncnc(CC)c1F
InChIInChI=1S/C13H22FN3O/c1-3-5-10(6-7-18)8-15-13-12(14)11(4-2)16-9-17-13/h9-10,18H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyVRFXYUNJYISYBX-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.39
Rot. Bonds8

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

3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 113344426) has the molecular formula C13H22FN3O and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID113344426
Molecular FormulaC13H22FN3O
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncnc(CC)c1F
InChIInChI=1S/C13H22FN3O/c1-3-5-10(6-7-18)8-15-13-12(14)11(4-2)16-9-17-13/h9-10,18H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyVRFXYUNJYISYBX-UHFFFAOYSA-N
XLogP2.39
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol with MolForge

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Related Compounds

3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 103748507
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103880216
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118660
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115794
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]pentan-1-ol
CID 103880365
3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116858
3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106113772
3-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]hexan-1-ol
CID 103827619
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118528
5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-phenylpentan-2-ol
CID 133420036
4-[2-(2-hydroxyethyl)pentylamino]pyrimidine-5-carbonitrile
CID 112755216
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 113344426) is 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1ncnc(CC)c1F.
What is the InChIKey of 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is VRFXYUNJYISYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O/c1-3-5-10(6-7-18)8-15-13-12(14)11(4-2)16-9-17-13/h9-10,18H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 255.34 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 113344426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).