(2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine

C12H18ClN3O — CID 104959798

IUPAC(2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCCc1c(Cl)ncnc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H18ClN3O/c1-4-10-11(13)14-7-15-12(10)16-5-8(2)17-9(3)6-16/h7-9H,4-6H2,1-3H3/t8-,9+
InChIKeyOAPDPAOJPFRFDC-DTORHVGOSA-N
MW255.75 g/mol
LogP2.31
Rot. Bonds2

About (2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine

(2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine (PubChem CID 104959798) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
PubChem CID104959798
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCCc1c(Cl)ncnc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C12H18ClN3O/c1-4-10-11(13)14-7-15-12(10)16-5-8(2)17-9(3)6-16/h7-9H,4-6H2,1-3H3/t8-,9+
InChIKeyOAPDPAOJPFRFDC-DTORHVGOSA-N
XLogP2.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine 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

4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 55230444
[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933974
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106670902
4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-ethylpyrimidine
CID 103536691
4-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 104959220
1-(6-chloro-5-ethylpyrimidin-4-yl)azepane
CID 63736460
[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112627020
4-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine
CID 63728895
1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963157
[6-(2,6-dimethylmorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80928395
4-chloro-5-ethyl-6-(4-ethylpiperazin-1-yl)pyrimidine
CID 55229676
4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 63980185

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine (CID 104959798) is (2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine is CCc1c(Cl)ncnc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The InChIKey is OAPDPAOJPFRFDC-DTORHVGOSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-10-11(13)14-7-15-12(10)16-5-8(2)17-9(3)6-16/h7-9H,4-6H2,1-3H3/t8-,9+.
What are the key properties of (2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine has a molecular weight of 255.75 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(6-chloro-5-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 104959798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).