4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine

C13H20ClN3O — CID 55229682

IUPAC4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine
SMILESCCCc1c(Cl)ncnc1N1CCOC(CC)C1
InChIInChI=1S/C13H20ClN3O/c1-3-5-11-12(14)15-9-16-13(11)17-6-7-18-10(4-2)8-17/h9-10H,3-8H2,1-2H3
InChIKeyOOLKMIPBIHHLPT-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.70
Rot. Bonds4

About 4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine

4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine (PubChem CID 55229682) 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-ethylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine
PubChem CID55229682
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine
SMILESCCCc1c(Cl)ncnc1N1CCOC(CC)C1
InChIInChI=1S/C13H20ClN3O/c1-3-5-11-12(14)15-9-16-13(11)17-6-7-18-10(4-2)8-17/h9-10H,3-8H2,1-2H3
InChIKeyOOLKMIPBIHHLPT-UHFFFAOYSA-N
XLogP2.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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-ethylmorpholine?
The IUPAC name of 4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine (CID 55229682) is 4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine.
What is the SMILES notation for 4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine?
The canonical SMILES for 4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine is CCCc1c(Cl)ncnc1N1CCOC(CC)C1.
What is the InChIKey of 4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine?
The InChIKey is OOLKMIPBIHHLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-5-11-12(14)15-9-16-13(11)17-6-7-18-10(4-2)8-17/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine?
4-(6-chloro-5-propylpyrimidin-4-yl)-2-ethylmorpholine has a molecular weight of 269.78 g/mol, XLogP of 2.70, 4 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-ethylmorpholine is sourced from PubChem (CID 55229682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).