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

C12H18ClN3O — CID 55230446

IUPAC4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine
SMILESCCCc1c(Cl)ncnc1N1CCOC(C)C1
InChIInChI=1S/C12H18ClN3O/c1-3-4-10-11(13)14-8-15-12(10)16-5-6-17-9(2)7-16/h8-9H,3-7H2,1-2H3
InChIKeyLGBDKRJCIUQQIO-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.31
Rot. Bonds3

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

4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine (PubChem CID 55230446) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine
PubChem CID55230446
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine
SMILESCCCc1c(Cl)ncnc1N1CCOC(C)C1
InChIInChI=1S/C12H18ClN3O/c1-3-4-10-11(13)14-8-15-12(10)16-5-6-17-9(2)7-16/h8-9H,3-7H2,1-2H3
InChIKeyLGBDKRJCIUQQIO-UHFFFAOYSA-N
XLogP2.31
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.31
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-methylmorpholine?
The IUPAC name of 4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine (CID 55230446) is 4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine.
What is the SMILES notation for 4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine?
The canonical SMILES for 4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine is CCCc1c(Cl)ncnc1N1CCOC(C)C1.
What is the InChIKey of 4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine?
The InChIKey is LGBDKRJCIUQQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-4-10-11(13)14-8-15-12(10)16-5-6-17-9(2)7-16/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine?
4-(6-chloro-5-propylpyrimidin-4-yl)-2-methylmorpholine has a molecular weight of 255.75 g/mol, XLogP of 2.31, 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-methylmorpholine is sourced from PubChem (CID 55230446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).