4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine

C15H24ClN3O — CID 62086730

IUPAC4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine
SMILESCC1CN(c2cnc(C(C)C)nc2CCl)CC(C)(C)O1
InChIInChI=1S/C15H24ClN3O/c1-10(2)14-17-7-13(12(6-16)18-14)19-8-11(3)20-15(4,5)9-19/h7,10-11H,6,8-9H2,1-5H3
InChIKeyQEVVLSKSQJYJOV-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.34
Rot. Bonds3

About 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine

4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine (PubChem CID 62086730) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine
PubChem CID62086730
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine
SMILESCC1CN(c2cnc(C(C)C)nc2CCl)CC(C)(C)O1
InChIInChI=1S/C15H24ClN3O/c1-10(2)14-17-7-13(12(6-16)18-14)19-8-11(3)20-15(4,5)9-19/h7,10-11H,6,8-9H2,1-5H3
InChIKeyQEVVLSKSQJYJOV-UHFFFAOYSA-N
XLogP3.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine?
The IUPAC name of 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine (CID 62086730) is 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine is CC1CN(c2cnc(C(C)C)nc2CCl)CC(C)(C)O1.
What is the InChIKey of 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine?
The InChIKey is QEVVLSKSQJYJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-10(2)14-17-7-13(12(6-16)18-14)19-8-11(3)20-15(4,5)9-19/h7,10-11H,6,8-9H2,1-5H3.
What are the key properties of 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine?
4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine has a molecular weight of 297.83 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,2,6-trimethylmorpholine is sourced from PubChem (CID 62086730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).