2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine

C17H28N4 — CID 118740064

IUPAC2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
SMILESCCN1CCC(N2CCC(c3nc(C)cc(C)n3)C2)CC1
InChIInChI=1S/C17H28N4/c1-4-20-8-6-16(7-9-20)21-10-5-15(12-21)17-18-13(2)11-14(3)19-17/h11,15-16H,4-10,12H2,1-3H3
InChIKeyUSHNNOOJYFGJOY-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.37
Rot. Bonds3

About 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine

2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine (PubChem CID 118740064) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
PubChem CID118740064
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine
SMILESCCN1CCC(N2CCC(c3nc(C)cc(C)n3)C2)CC1
InChIInChI=1S/C17H28N4/c1-4-20-8-6-16(7-9-20)21-10-5-15(12-21)17-18-13(2)11-14(3)19-17/h11,15-16H,4-10,12H2,1-3H3
InChIKeyUSHNNOOJYFGJOY-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine 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-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine (CID 118740064) is 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine is CCN1CCC(N2CCC(c3nc(C)cc(C)n3)C2)CC1.
What is the InChIKey of 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?
The InChIKey is USHNNOOJYFGJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-20-8-6-16(7-9-20)21-10-5-15(12-21)17-18-13(2)11-14(3)19-17/h11,15-16H,4-10,12H2,1-3H3.
What are the key properties of 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine?
2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine has a molecular weight of 288.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpiperidin-4-yl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 118740064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).