4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine

C20H26ClN3O3 — CID 133318568

IUPAC4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine
SMILESCCc1c(Cl)nc(C)nc1N1CCC(Oc2c(OC)cccc2OC)CC1
InChIInChI=1S/C20H26ClN3O3/c1-5-15-19(21)22-13(2)23-20(15)24-11-9-14(10-12-24)27-18-16(25-3)7-6-8-17(18)26-4/h6-8,14H,5,9-12H2,1-4H3
InChIKeyJHUAWZJTFVZACQ-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.07
Rot. Bonds6

About 4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine

4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine (PubChem CID 133318568) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine
PubChem CID133318568
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine
SMILESCCc1c(Cl)nc(C)nc1N1CCC(Oc2c(OC)cccc2OC)CC1
InChIInChI=1S/C20H26ClN3O3/c1-5-15-19(21)22-13(2)23-20(15)24-11-9-14(10-12-24)27-18-16(25-3)7-6-8-17(18)26-4/h6-8,14H,5,9-12H2,1-4H3
InChIKeyJHUAWZJTFVZACQ-UHFFFAOYSA-N
XLogP4.07
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine (CID 133318568) is 4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine is CCc1c(Cl)nc(C)nc1N1CCC(Oc2c(OC)cccc2OC)CC1.
What is the InChIKey of 4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine?
The InChIKey is JHUAWZJTFVZACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-5-15-19(21)22-13(2)23-20(15)24-11-9-14(10-12-24)27-18-16(25-3)7-6-8-17(18)26-4/h6-8,14H,5,9-12H2,1-4H3.
What are the key properties of 4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine?
4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine has a molecular weight of 391.90 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-5-ethyl-2-methylpyrimidine is sourced from PubChem (CID 133318568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).