4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol

C12H17ClN2O2 — CID 21471263

IUPAC4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol
SMILESCCc1ncnc(OC2CCC(O)CC2)c1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-10-11(13)12(15-7-14-10)17-9-5-3-8(16)4-6-9/h7-9,16H,2-6H2,1H3
InChIKeyNHYOZTMXRJHVOE-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.37
Rot. Bonds3

About 4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol

4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol (PubChem CID 21471263) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol
PubChem CID21471263
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol
SMILESCCc1ncnc(OC2CCC(O)CC2)c1Cl
InChIInChI=1S/C12H17ClN2O2/c1-2-10-11(13)12(15-7-14-10)17-9-5-3-8(16)4-6-9/h7-9,16H,2-6H2,1H3
InChIKeyNHYOZTMXRJHVOE-UHFFFAOYSA-N
XLogP2.37
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-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

5-Chloro-4-[(3,3-diethyl-1,5-dioxaspiro[5.5]undecan-9-yl)oxy]-6-ethylpyrimidine
CID 15346468
4-(1-Tert-butoxycarbonylpiperidin-4-yloxy)-5-chloro-6-ethylpyrimidine
CID 18366572
Ethyl 2-(5-chloro-6-ethylpyrimidin-4-yloxy)acetate
CID 18700275
2-(5-Chloro-6-ethylpyri midi n-4-yloxy)acetic acid
CID 18700276
4-(5-Chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-one
CID 21471261
5-Chloro-4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-6-ethylpyrimidine
CID 21471266
[4-(5-Chloro-6-ethylpyrimidin-4-yl)oxycyclohexyl] 2,2-dimethylpropanoate
CID 21471269
1-(5-Chloro-6-ethyl-4-pyrimidinyloxy)-2-propylamine
CID 53717451
2-(5-Chloro-6-ethylpyrimidin-4-yl)oxyethanamine
CID 58684724
Azane;5-chloro-4-ethyl-6-propoxypyrimidine
CID 67637870
5-Chloro-4-ethyl-6-(8-methylsulfanyloctoxy)pyrimidine
CID 67893394
4-But-2-ynoxy-5-chloro-6-(3-methylcyclohexyl)pyrimidine
CID 86001382

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol?
The IUPAC name of 4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol (CID 21471263) is 4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol.
What is the SMILES notation for 4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol?
The canonical SMILES for 4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol is CCc1ncnc(OC2CCC(O)CC2)c1Cl.
What is the InChIKey of 4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol?
The InChIKey is NHYOZTMXRJHVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-10-11(13)12(15-7-14-10)17-9-5-3-8(16)4-6-9/h7-9,16H,2-6H2,1H3.
What are the key properties of 4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol?
4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol has a molecular weight of 256.73 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-ethylpyrimidin-4-yl)oxycyclohexan-1-ol is sourced from PubChem (CID 21471263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).