ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane

C14H27N3 — CID 170581673

IUPACethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
SMILESCC.CCC.Cc1cnc(N2CCCC2)nc1
InChIInChI=1S/C9H13N3.C3H8.C2H6/c1-8-6-10-9(11-7-8)12-4-2-3-5-12;1-3-2;1-2/h6-7H,2-5H2,1H3;3H2,1-2H3;1-2H3
InChIKeyWUPXGOPJKLKRRA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.83
Rot. Bonds1

About ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane

ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane (PubChem CID 170581673) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane.

Molecular Properties

Compound Nameethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
PubChem CID170581673
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
SMILESCC.CCC.Cc1cnc(N2CCCC2)nc1
InChIInChI=1S/C9H13N3.C3H8.C2H6/c1-8-6-10-9(11-7-8)12-4-2-3-5-12;1-3-2;1-2/h6-7H,2-5H2,1H3;3H2,1-2H3;1-2H3
InChIKeyWUPXGOPJKLKRRA-UHFFFAOYSA-N
XLogP3.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane with MolForge

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

Launch Full Analysis

Related Compounds

propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170581879
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217
ethane;2-piperidin-1-ylpyrimidin-5-amine
CID 166532022
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
ethane;ethyl 1-(5-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 143917578
2-piperidin-1-yl-5-propylpyrimidine
CID 123831355
1-(5-methylpyrimidin-2-yl)piperidin-4-one
CID 63208322
ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 63206358
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane?
The IUPAC name of ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane (CID 170581673) is ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane.
What is the SMILES notation for ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane?
The canonical SMILES for ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane is CC.CCC.Cc1cnc(N2CCCC2)nc1.
What is the InChIKey of ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane?
The InChIKey is WUPXGOPJKLKRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.C3H8.C2H6/c1-8-6-10-9(11-7-8)12-4-2-3-5-12;1-3-2;1-2/h6-7H,2-5H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane?
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane has a molecular weight of 237.39 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane is sourced from PubChem (CID 170581673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).