2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine

C13H20ClN3O2 — CID 112635781

IUPAC2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine
SMILESCCOc1cc(C)nc(N2CC(CCl)OCC2C)n1
InChIInChI=1S/C13H20ClN3O2/c1-4-18-12-5-9(2)15-13(16-12)17-7-11(6-14)19-8-10(17)3/h5,10-11H,4,6-8H2,1-3H3
InChIKeyZBKYHNLLTAKPKJ-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.02
Rot. Bonds4

About 2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine

2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine (PubChem CID 112635781) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine
PubChem CID112635781
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine
SMILESCCOc1cc(C)nc(N2CC(CCl)OCC2C)n1
InChIInChI=1S/C13H20ClN3O2/c1-4-18-12-5-9(2)15-13(16-12)17-7-11(6-14)19-8-10(17)3/h5,10-11H,4,6-8H2,1-3H3
InChIKeyZBKYHNLLTAKPKJ-UHFFFAOYSA-N
XLogP2.02
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(chloromethyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635557
5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 112635034
2-(chloromethyl)-4-(5-chloro-2-pyridinyl)-5-methylmorpholine
CID 81209758
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635563
[4-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol
CID 81216915
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]-N-methylmethanamine
CID 112635080
1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine
CID 112635064
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 133379177
2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine
CID 102937027
2-[2-(bromomethyl)piperidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635723
methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
CID 115973733
2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine
CID 112639426

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine (CID 112635781) is 2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine is CCOc1cc(C)nc(N2CC(CCl)OCC2C)n1.
What is the InChIKey of 2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine?
The InChIKey is ZBKYHNLLTAKPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-18-12-5-9(2)15-13(16-12)17-7-11(6-14)19-8-10(17)3/h5,10-11H,4,6-8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine?
2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine has a molecular weight of 285.78 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine is sourced from PubChem (CID 112635781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).