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

C11H16FN3O — CID 106137329

IUPAC3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2cc(F)ncn2)C1
InChIInChI=1S/C11H16FN3O/c12-10-5-11(15-7-14-10)13-6-8-2-1-3-9(16)4-8/h5,7-9,16H,1-4,6H2,(H,13,14,15)
InChIKeyGMANHVSVRGEAPK-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.58
Rot. Bonds3

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

3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106137329) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106137329
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2cc(F)ncn2)C1
InChIInChI=1S/C11H16FN3O/c12-10-5-11(15-7-14-10)13-6-8-2-1-3-9(16)4-8/h5,7-9,16H,1-4,6H2,(H,13,14,15)
InChIKeyGMANHVSVRGEAPK-UHFFFAOYSA-N
XLogP1.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[[[6-(Oxan-3-ylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 128998857
[trans-4-({[4-(Methylamino)pyrimidin-2-yl]amino}methyl)cyclohexyl]methanol
CID 132425525
2-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79076822
(2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 126687066
cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 158304425
(1R,2R,3R,5S)-5-ethyl-2-fluoro-3-(pyrimidin-4-ylamino)cyclopentan-1-ol
CID 162010538
[2-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 79076621
[2-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80832215
2-[[(2-Amino-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80841360
2-[[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80841807
2-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80841929
2-[[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80841931

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106137329) is 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is OC1CCCC(CNc2cc(F)ncn2)C1.
What is the InChIKey of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is GMANHVSVRGEAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c12-10-5-11(15-7-14-10)13-6-8-2-1-3-9(16)4-8/h5,7-9,16H,1-4,6H2,(H,13,14,15).
What are the key properties of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 225.27 g/mol, XLogP of 1.58, 3 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]cyclohexan-1-ol is sourced from PubChem (CID 106137329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).