4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine

C17H20ClN3O — CID 133461969

IUPAC4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
SMILESCCc1cc(N2CCC(Oc3ccccc3Cl)C2)nc(C)n1
InChIInChI=1S/C17H20ClN3O/c1-3-13-10-17(20-12(2)19-13)21-9-8-14(11-21)22-16-7-5-4-6-15(16)18/h4-7,10,14H,3,8-9,11H2,1-2H3
InChIKeyURSZYYKOWKPTJC-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.66
Rot. Bonds4

About 4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine

4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine (PubChem CID 133461969) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine.

Molecular Properties

Compound Name4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
PubChem CID133461969
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
SMILESCCc1cc(N2CCC(Oc3ccccc3Cl)C2)nc(C)n1
InChIInChI=1S/C17H20ClN3O/c1-3-13-10-17(20-12(2)19-13)21-9-8-14(11-21)22-16-7-5-4-6-15(16)18/h4-7,10,14H,3,8-9,11H2,1-2H3
InChIKeyURSZYYKOWKPTJC-UHFFFAOYSA-N
XLogP3.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133462129
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
4-chloro-6-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-methylpyrimidine
CID 133390644
4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]-2-methylpyrimidine
CID 133337360
4-benzyl-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methyl-1,4-diazepane
CID 133461463
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 133406433
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
4-[[3-(2-chlorophenoxy)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 167942848
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-(3-methoxyphenyl)piperidin-4-amine
CID 133460647
2-[4-(2-chlorophenoxy)piperidin-1-yl]-5-propyl-1,3,4-oxadiazole
CID 72839343
4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine?
The IUPAC name of 4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine (CID 133461969) is 4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine.
What is the SMILES notation for 4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine?
The canonical SMILES for 4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine is CCc1cc(N2CCC(Oc3ccccc3Cl)C2)nc(C)n1.
What is the InChIKey of 4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine?
The InChIKey is URSZYYKOWKPTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-3-13-10-17(20-12(2)19-13)21-9-8-14(11-21)22-16-7-5-4-6-15(16)18/h4-7,10,14H,3,8-9,11H2,1-2H3.
What are the key properties of 4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine?
4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine has a molecular weight of 317.82 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine is sourced from PubChem (CID 133461969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).