2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine

C11H16ClN3O2 — CID 81210088

IUPAC2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine
SMILESCOc1ncnc(N2CCOC(CCl)C2)c1C
InChIInChI=1S/C11H16ClN3O2/c1-8-10(13-7-14-11(8)16-2)15-3-4-17-9(5-12)6-15/h7,9H,3-6H2,1-2H3
InChIKeyCWOZJULYNURRNS-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.24
Rot. Bonds3

About 2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine

2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine (PubChem CID 81210088) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine
PubChem CID81210088
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine
SMILESCOc1ncnc(N2CCOC(CCl)C2)c1C
InChIInChI=1S/C11H16ClN3O2/c1-8-10(13-7-14-11(8)16-2)15-3-4-17-9(5-12)6-15/h7,9H,3-6H2,1-2H3
InChIKeyCWOZJULYNURRNS-UHFFFAOYSA-N
XLogP1.24
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine (CID 81210088) is 2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine is COc1ncnc(N2CCOC(CCl)C2)c1C.
What is the InChIKey of 2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine?
The InChIKey is CWOZJULYNURRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-8-10(13-7-14-11(8)16-2)15-3-4-17-9(5-12)6-15/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine?
2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine has a molecular weight of 257.72 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 81210088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).