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

C12H18ClN3O — CID 104959793

IUPAC(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCCc1nc(Cl)cc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C12H18ClN3O/c1-4-11-14-10(13)5-12(15-11)16-6-8(2)17-9(3)7-16/h5,8-9H,4,6-7H2,1-3H3/t8-,9+
InChIKeyOUISYUCNCIRPLP-DTORHVGOSA-N
MW255.75 g/mol
LogP2.31
Rot. Bonds2

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

(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine (PubChem CID 104959793) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
PubChem CID104959793
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCCc1nc(Cl)cc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C12H18ClN3O/c1-4-11-14-10(13)5-12(15-11)16-6-8(2)17-9(3)7-16/h5,8-9H,4,6-7H2,1-3H3/t8-,9+
InChIKeyOUISYUCNCIRPLP-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

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Related Compounds

4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine
CID 80936019
3-(6-chloro-2-ethylpyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 80936821
1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol
CID 131048087
(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 129367907
4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80943255
2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine
CID 114276586
1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 80936809
[4-(6-chloro-2-methylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933937
4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
CID 80939007
(2R,6S)-4-(6-ethyl-4-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
CID 176956813
4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine
CID 80936627
3-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80936724

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine (CID 104959793) is (2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine is CCc1nc(Cl)cc(N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of (2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The InChIKey is OUISYUCNCIRPLP-DTORHVGOSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-11-14-10(13)5-12(15-11)16-6-8(2)17-9(3)7-16/h5,8-9H,4,6-7H2,1-3H3/t8-,9+.
What are the key properties of (2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(6-chloro-2-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-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 104959793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).