4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine

C19H33N5O — CID 50950292

IUPAC4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine
SMILESCOCCN1CCC(CN2CCN(c3ncnc(C)c3C)CC2)CC1
InChIInChI=1S/C19H33N5O/c1-16-17(2)20-15-21-19(16)24-10-8-23(9-11-24)14-18-4-6-22(7-5-18)12-13-25-3/h15,18H,4-14H2,1-3H3
InChIKeyGPZOCVMAQKPDGL-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.57
Rot. Bonds6

About 4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine

4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine (PubChem CID 50950292) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine
PubChem CID50950292
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine
SMILESCOCCN1CCC(CN2CCN(c3ncnc(C)c3C)CC2)CC1
InChIInChI=1S/C19H33N5O/c1-16-17(2)20-15-21-19(16)24-10-8-23(9-11-24)14-18-4-6-22(7-5-18)12-13-25-3/h15,18H,4-14H2,1-3H3
InChIKeyGPZOCVMAQKPDGL-UHFFFAOYSA-N
XLogP1.57
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine (CID 50950292) is 4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine is COCCN1CCC(CN2CCN(c3ncnc(C)c3C)CC2)CC1.
What is the InChIKey of 4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine?
The InChIKey is GPZOCVMAQKPDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-16-17(2)20-15-21-19(16)24-10-8-23(9-11-24)14-18-4-6-22(7-5-18)12-13-25-3/h15,18H,4-14H2,1-3H3.
What are the key properties of 4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine?
4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine has a molecular weight of 347.51 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazin-1-yl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 50950292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).