[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol

C13H20FN3O — CID 113344395

IUPAC[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCCc1ncnc(NC2CCCCC2CO)c1F
InChIInChI=1S/C13H20FN3O/c1-2-10-12(14)13(16-8-15-10)17-11-6-4-3-5-9(11)7-18/h8-9,11,18H,2-7H2,1H3,(H,15,16,17)
InChIKeyJZYBDKPCCSJYHD-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.14
Rot. Bonds4

About [2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol

[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 113344395) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is [2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID113344395
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCCc1ncnc(NC2CCCCC2CO)c1F
InChIInChI=1S/C13H20FN3O/c1-2-10-12(14)13(16-8-15-10)17-11-6-4-3-5-9(11)7-18/h8-9,11,18H,2-7H2,1H3,(H,15,16,17)
InChIKeyJZYBDKPCCSJYHD-UHFFFAOYSA-N
XLogP2.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 133419371
[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364141
6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine
CID 103880316
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103879872
N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419833
[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106368118
[2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368292
N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045871
[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114179877
[2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106368007
6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine
CID 129006905
[2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 114178800

Frequently Asked Questions

What is the IUPAC name of [2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol (CID 113344395) is [2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol is CCc1ncnc(NC2CCCCC2CO)c1F.
What is the InChIKey of [2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is JZYBDKPCCSJYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-2-10-12(14)13(16-8-15-10)17-11-6-4-3-5-9(11)7-18/h8-9,11,18H,2-7H2,1H3,(H,15,16,17).
What are the key properties of [2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol?
[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 253.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 113344395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).