4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine

C11H16ClN3O — CID 79075234

IUPAC4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine
SMILESCc1cnc(Cl)nc1N1CCOC(C)(C)C1
InChIInChI=1S/C11H16ClN3O/c1-8-6-13-10(12)14-9(8)15-4-5-16-11(2,3)7-15/h6H,4-5,7H2,1-3H3
InChIKeyWJJMEXXGNNNNNG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds1

About 4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine

4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine (PubChem CID 79075234) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine
PubChem CID79075234
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine
SMILESCc1cnc(Cl)nc1N1CCOC(C)(C)C1
InChIInChI=1S/C11H16ClN3O/c1-8-6-13-10(12)14-9(8)15-4-5-16-11(2,3)7-15/h6H,4-5,7H2,1-3H3
InChIKeyWJJMEXXGNNNNNG-UHFFFAOYSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine?
The IUPAC name of 4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine (CID 79075234) is 4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine is Cc1cnc(Cl)nc1N1CCOC(C)(C)C1.
What is the InChIKey of 4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine?
The InChIKey is WJJMEXXGNNNNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-6-13-10(12)14-9(8)15-4-5-16-11(2,3)7-15/h6H,4-5,7H2,1-3H3.
What are the key properties of 4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine?
4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine has a molecular weight of 241.72 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 79075234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).