2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine

C13H20ClN3O — CID 114276586

IUPAC2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine
SMILESCCc1nc(C)cc(N2CC(C)OC(CCl)C2)n1
InChIInChI=1S/C13H20ClN3O/c1-4-12-15-9(2)5-13(16-12)17-7-10(3)18-11(6-14)8-17/h5,10-11H,4,6-8H2,1-3H3
InChIKeyHPYPQJXMCJHGHU-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.18
Rot. Bonds3

About 2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine

2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine (PubChem CID 114276586) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine
PubChem CID114276586
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine
SMILESCCc1nc(C)cc(N2CC(C)OC(CCl)C2)n1
InChIInChI=1S/C13H20ClN3O/c1-4-12-15-9(2)5-13(16-12)17-7-10(3)18-11(6-14)8-17/h5,10-11H,4,6-8H2,1-3H3
InChIKeyHPYPQJXMCJHGHU-UHFFFAOYSA-N
XLogP2.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959793
2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine
CID 102937027
[4-(6-chloro-2-methylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933937
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile
CID 102932797
[4-(6-amino-2-propylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102939143
[4-(6-ethyl-2-methylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanamine
CID 102938660
2-(chloromethyl)-6-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 102937075
2,6-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
CID 4317583
2-(chloromethyl)-6-methyl-4-pyridin-4-ylmorpholine
CID 102937003
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
(2R,6R)-2,6-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine
CID 42270575

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine (CID 114276586) is 2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine is CCc1nc(C)cc(N2CC(C)OC(CCl)C2)n1.
What is the InChIKey of 2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine?
The InChIKey is HPYPQJXMCJHGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-12-15-9(2)5-13(16-12)17-7-10(3)18-11(6-14)8-17/h5,10-11H,4,6-8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine?
2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine has a molecular weight of 269.78 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(2-ethyl-6-methylpyrimidin-4-yl)-6-methylmorpholine is sourced from PubChem (CID 114276586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).