2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine

C16H28N4O2 — CID 99827479

IUPAC2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine
SMILESCOC(CN1CCN(c2nc(C)cc(C(C)C)n2)CC1)OC
InChIInChI=1S/C16H28N4O2/c1-12(2)14-10-13(3)17-16(18-14)20-8-6-19(7-9-20)11-15(21-4)22-5/h10,12,15H,6-9,11H2,1-5H3
InChIKeyZLRQQYZYRIMJSQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.65
Rot. Bonds6

About 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine

2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine (PubChem CID 99827479) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine
PubChem CID99827479
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine
SMILESCOC(CN1CCN(c2nc(C)cc(C(C)C)n2)CC1)OC
InChIInChI=1S/C16H28N4O2/c1-12(2)14-10-13(3)17-16(18-14)20-8-6-19(7-9-20)11-15(21-4)22-5/h10,12,15H,6-9,11H2,1-5H3
InChIKeyZLRQQYZYRIMJSQ-UHFFFAOYSA-N
XLogP1.65
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine 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-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine?
The IUPAC name of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine (CID 99827479) is 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine is COC(CN1CCN(c2nc(C)cc(C(C)C)n2)CC1)OC.
What is the InChIKey of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine?
The InChIKey is ZLRQQYZYRIMJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(2)14-10-13(3)17-16(18-14)20-8-6-19(7-9-20)11-15(21-4)22-5/h10,12,15H,6-9,11H2,1-5H3.
What are the key properties of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine?
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine has a molecular weight of 308.43 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-4-methyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 99827479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).