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

C14H22ClN3O — CID 55032943

IUPAC4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine
SMILESCC1CN(c2cnc(C(C)C)nc2CCl)C(C)CO1
InChIInChI=1S/C14H22ClN3O/c1-9(2)14-16-6-13(12(5-15)17-14)18-7-11(4)19-8-10(18)3/h6,9-11H,5,7-8H2,1-4H3
InChIKeyIPUSDHYMEGRFAV-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.95
Rot. Bonds3

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

4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine (PubChem CID 55032943) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine
PubChem CID55032943
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine
SMILESCC1CN(c2cnc(C(C)C)nc2CCl)C(C)CO1
InChIInChI=1S/C14H22ClN3O/c1-9(2)14-16-6-13(12(5-15)17-14)18-7-11(4)19-8-10(18)3/h6,9-11H,5,7-8H2,1-4H3
InChIKeyIPUSDHYMEGRFAV-UHFFFAOYSA-N
XLogP2.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.95
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]-2,5-dimethylmorpholine?
The IUPAC name of 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine (CID 55032943) is 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine.
What is the SMILES notation for 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine?
The canonical SMILES for 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine is CC1CN(c2cnc(C(C)C)nc2CCl)C(C)CO1.
What is the InChIKey of 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine?
The InChIKey is IPUSDHYMEGRFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)14-16-6-13(12(5-15)17-14)18-7-11(4)19-8-10(18)3/h6,9-11H,5,7-8H2,1-4H3.
What are the key properties of 4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine?
4-[4-(chloromethyl)-2-propan-2-ylpyrimidin-5-yl]-2,5-dimethylmorpholine has a molecular weight of 283.80 g/mol, XLogP of 2.95, 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]-2,5-dimethylmorpholine is sourced from PubChem (CID 55032943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).