[4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol

C12H17FN2O2 — CID 167284602

IUPAC[4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol
SMILESCOC(O)C1CCC(c2cnc(F)nc2)CC1
InChIInChI=1S/C12H17FN2O2/c1-17-11(16)9-4-2-8(3-5-9)10-6-14-12(13)15-7-10/h6-9,11,16H,2-5H2,1H3
InChIKeyRZJVETGMBKWHQY-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.85
Rot. Bonds3

About [4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol

[4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol (PubChem CID 167284602) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is [4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol.

Molecular Properties

Compound Name[4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol
PubChem CID167284602
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol
SMILESCOC(O)C1CCC(c2cnc(F)nc2)CC1
InChIInChI=1S/C12H17FN2O2/c1-17-11(16)9-4-2-8(3-5-9)10-6-14-12(13)15-7-10/h6-9,11,16H,2-5H2,1H3
InChIKeyRZJVETGMBKWHQY-UHFFFAOYSA-N
XLogP1.85
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-Fluoro-5-pentyl-2-[4-(5-pentyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine
CID 20162140
4-Fluoro-5-heptyl-2-[4-(5-pentyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine
CID 20162212
4-Fluoro-2-[4-(5-pentyl-1,3-dioxan-2-yl)cyclohexyl]-5-propylpyrimidine
CID 20162393
5-Butyl-4-fluoro-2-[4-(5-pentyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine
CID 20162599
Methyl 4-(2-fluoropyrimidin-5-yl)cyclohexane-1-carboxylate
CID 167284590
6-(Pyrimidin-5-yl)hexan-1-ol
CID 13557544
Pyrimidin-5-yl-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105083705
(4,4-Difluorocyclohexyl)-pyrimidin-5-ylmethanol
CID 105083729
Pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105083802
Pyrimidin-5-yl-[3-(trifluoromethyl)cyclohexyl]methanol
CID 113678585
5-Pentyl-2-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]pyrimidine
CID 19839770
7-(2-Decoxypyrimidin-5-yl)heptan-2-ol
CID 22358445

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol?
The IUPAC name of [4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol (CID 167284602) is [4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol.
What is the SMILES notation for [4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol?
The canonical SMILES for [4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol is COC(O)C1CCC(c2cnc(F)nc2)CC1.
What is the InChIKey of [4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol?
The InChIKey is RZJVETGMBKWHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-17-11(16)9-4-2-8(3-5-9)10-6-14-12(13)15-7-10/h6-9,11,16H,2-5H2,1H3.
What are the key properties of [4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol?
[4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol has a molecular weight of 240.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoropyrimidin-5-yl)cyclohexyl]-methoxymethanol is sourced from PubChem (CID 167284602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).