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

C11H18FN3O — CID 106116910

IUPAC3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(F)ncn1
InChIInChI=1S/C11H18FN3O/c1-2-3-9(4-5-16)7-13-11-6-10(12)14-8-15-11/h6,8-9,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyRCADDLDHZCDABV-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.83
Rot. Bonds7

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

3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol (PubChem CID 106116910) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
PubChem CID106116910
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(F)ncn1
InChIInChI=1S/C11H18FN3O/c1-2-3-9(4-5-16)7-13-11-6-10(12)14-8-15-11/h6,8-9,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyRCADDLDHZCDABV-UHFFFAOYSA-N
XLogP1.83
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-Methylpyrimidin-4-yl)amino]cycloheptyl]methanol
CID 75495068
[(1R,2R)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 99799079
[trans-4-({[4-(Methylamino)pyrimidin-2-yl]amino}methyl)cyclohexyl]methanol
CID 132425525
2-[[(6-Aminopyrimidin-4-yl)amino]methyl]-2-fluoro-3-methylbut-3-en-1-ol
CID 156103530
(1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol
CID 162010538
[(3R,4R)-3-fluoro-4-(pyrimidin-4-ylamino)cyclopentyl]methanol
CID 166924379
3-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80308418
[1-[2-(Ethylamino)-5-fluoropyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756044
[1-[5-Fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756193
[2-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80832215
[1-[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 80832369
[1-[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]cyclopentyl]methanol
CID 80832372

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol (CID 106116910) is 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1cc(F)ncn1.
What is the InChIKey of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
The InChIKey is RCADDLDHZCDABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-2-3-9(4-5-16)7-13-11-6-10(12)14-8-15-11/h6,8-9,16H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol?
3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol has a molecular weight of 227.28 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106116910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).