4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine

C10H13Cl2N3O — CID 79632898

IUPAC4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2nc(Cl)ncc2Cl)CCO1
InChIInChI=1S/C10H13Cl2N3O/c1-10(2)6-15(3-4-16-10)8-7(11)5-13-9(12)14-8/h5H,3-4,6H2,1-2H3
InChIKeyPUTBTXYADLLQJU-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.40
Rot. Bonds1

About 4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine

4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine (PubChem CID 79632898) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine
PubChem CID79632898
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(c2nc(Cl)ncc2Cl)CCO1
InChIInChI=1S/C10H13Cl2N3O/c1-10(2)6-15(3-4-16-10)8-7(11)5-13-9(12)14-8/h5H,3-4,6H2,1-2H3
InChIKeyPUTBTXYADLLQJU-UHFFFAOYSA-N
XLogP2.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine?
The IUPAC name of 4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine (CID 79632898) is 4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine is CC1(C)CN(c2nc(Cl)ncc2Cl)CCO1.
What is the InChIKey of 4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine?
The InChIKey is PUTBTXYADLLQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c1-10(2)6-15(3-4-16-10)8-7(11)5-13-9(12)14-8/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine?
4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine has a molecular weight of 262.14 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 79632898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).