4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine

C11H15Cl2N3O2 — CID 102937046

IUPAC4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine
SMILESCOc1ncc(Cl)c(N2CC(C)OC(CCl)C2)n1
InChIInChI=1S/C11H15Cl2N3O2/c1-7-5-16(6-8(3-12)18-7)10-9(13)4-14-11(15-10)17-2/h4,7-8H,3,5-6H2,1-2H3
InChIKeyADGJXQPKECYBJH-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.97
Rot. Bonds3

About 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine

4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine (PubChem CID 102937046) has the molecular formula C11H15Cl2N3O2 and a molecular weight of 292.17 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine
PubChem CID102937046
Molecular FormulaC11H15Cl2N3O2
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine
SMILESCOc1ncc(Cl)c(N2CC(C)OC(CCl)C2)n1
InChIInChI=1S/C11H15Cl2N3O2/c1-7-5-16(6-8(3-12)18-7)10-9(13)4-14-11(15-10)17-2/h4,7-8H,3,5-6H2,1-2H3
InChIKeyADGJXQPKECYBJH-UHFFFAOYSA-N
XLogP1.97
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.97
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-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine
CID 81210414
2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine
CID 102937094
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209
[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 80710491
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
CID 80711574
5-chloro-4-(2,6-dimethylmorpholin-4-yl)-N-ethylpyrimidin-2-amine
CID 80764781
(3aR,7aS)-2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 80758287
2-(chloromethyl)-4-(4-methoxy-6-methylpyrimidin-2-yl)-6-methylmorpholine
CID 102937027
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
1-(5-chloro-2-methoxypyrimidin-4-yl)-3-propylazetidin-3-ol
CID 80753167
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
5-chloro-2-methoxy-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrimidine
CID 97119023

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine?
The IUPAC name of 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine (CID 102937046) is 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine.
What is the SMILES notation for 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine?
The canonical SMILES for 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine is COc1ncc(Cl)c(N2CC(C)OC(CCl)C2)n1.
What is the InChIKey of 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine?
The InChIKey is ADGJXQPKECYBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2/c1-7-5-16(6-8(3-12)18-7)10-9(13)4-14-11(15-10)17-2/h4,7-8H,3,5-6H2,1-2H3.
What are the key properties of 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine?
4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine has a molecular weight of 292.17 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxypyrimidin-4-yl)-2-(chloromethyl)-6-methylmorpholine is sourced from PubChem (CID 102937046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).