4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine

C13H20ClN3O — CID 55230444

IUPAC4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCCCc1c(Cl)ncnc1N1CC(C)OC(C)C1
InChIInChI=1S/C13H20ClN3O/c1-4-5-11-12(14)15-8-16-13(11)17-6-9(2)18-10(3)7-17/h8-10H,4-7H2,1-3H3
InChIKeyKRCJPTVOUKUHGL-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.70
Rot. Bonds3

About 4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine

4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine (PubChem CID 55230444) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine
PubChem CID55230444
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCCCc1c(Cl)ncnc1N1CC(C)OC(C)C1
InChIInChI=1S/C13H20ClN3O/c1-4-5-11-12(14)15-8-16-13(11)17-6-9(2)18-10(3)7-17/h8-10H,4-7H2,1-3H3
InChIKeyKRCJPTVOUKUHGL-UHFFFAOYSA-N
XLogP2.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine (CID 55230444) is 4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine is CCCc1c(Cl)ncnc1N1CC(C)OC(C)C1.
What is the InChIKey of 4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The InChIKey is KRCJPTVOUKUHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-5-11-12(14)15-8-16-13(11)17-6-9(2)18-10(3)7-17/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine?
4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine has a molecular weight of 269.78 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-propylpyrimidin-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 55230444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).