[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol

C11H15ClN2O2 — CID 106825896

IUPAC[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol
SMILESOCC1CCC(Oc2ncc(Cl)cn2)CC1
InChIInChI=1S/C11H15ClN2O2/c12-9-5-13-11(14-6-9)16-10-3-1-8(7-15)2-4-10/h5-6,8,10,15H,1-4,7H2
InChIKeyPMADOAZILMBYIN-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.06
Rot. Bonds3

About [4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol

[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol (PubChem CID 106825896) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is [4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol.

Molecular Properties

Compound Name[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol
PubChem CID106825896
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol
SMILESOCC1CCC(Oc2ncc(Cl)cn2)CC1
InChIInChI=1S/C11H15ClN2O2/c12-9-5-13-11(14-6-9)16-10-3-1-8(7-15)2-4-10/h5-6,8,10,15H,1-4,7H2
InChIKeyPMADOAZILMBYIN-UHFFFAOYSA-N
XLogP2.06
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-cyclobutyloxypyrimidine
CID 126953902
[4-[(5-chloro-2-pyridinyl)oxy]cyclohexyl]methanol
CID 106825756
(4-pyridin-4-yloxycyclohexyl)methanol
CID 106825907
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]cyclohexanecarboxamide
CID 90633658
2-(4-chlorophenoxy)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90633733
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633673
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4,5-triethoxybenzamide
CID 90633694
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-(4-fluorophenoxy)acetamide
CID 90633747
5-chloro-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]thiophene-2-carboxamide
CID 90633833
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2-fluorobenzamide
CID 90633695

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol?
The IUPAC name of [4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol (CID 106825896) is [4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol.
What is the SMILES notation for [4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol?
The canonical SMILES for [4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol is OCC1CCC(Oc2ncc(Cl)cn2)CC1.
What is the InChIKey of [4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol?
The InChIKey is PMADOAZILMBYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-9-5-13-11(14-6-9)16-10-3-1-8(7-15)2-4-10/h5-6,8,10,15H,1-4,7H2.
What are the key properties of [4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol?
[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol has a molecular weight of 242.71 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol is sourced from PubChem (CID 106825896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).