2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine

C18H24N4O2 — CID 1206031

IUPAC2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCCOc1cc(CN2CCN(c3ncccn3)CC2)ccc1OC
InChIInChI=1S/C18H24N4O2/c1-3-24-17-13-15(5-6-16(17)23-2)14-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8,13H,3,9-12,14H2,1-2H3
InChIKeyLHTXQWIGFHMNGM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.21
Rot. Bonds6

About 2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 1206031) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID1206031
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCCOc1cc(CN2CCN(c3ncccn3)CC2)ccc1OC
InChIInChI=1S/C18H24N4O2/c1-3-24-17-13-15(5-6-16(17)23-2)14-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8,13H,3,9-12,14H2,1-2H3
InChIKeyLHTXQWIGFHMNGM-UHFFFAOYSA-N
XLogP2.21
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine (CID 1206031) is 2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine is CCOc1cc(CN2CCN(c3ncccn3)CC2)ccc1OC.
What is the InChIKey of 2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is LHTXQWIGFHMNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-24-17-13-15(5-6-16(17)23-2)14-21-9-11-22(12-10-21)18-19-7-4-8-20-18/h4-8,13H,3,9-12,14H2,1-2H3.
What are the key properties of 2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 328.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 1206031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).