propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine

C14H25N3 — CID 170581879

IUPACpropane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
SMILESCC(C)c1cnc(N2CCCC2)nc1.CCC
InChIInChI=1S/C11H17N3.C3H8/c1-9(2)10-7-12-11(13-8-10)14-5-3-4-6-14;1-3-2/h7-9H,3-6H2,1-2H3;3H2,1-2H3
InChIKeyUVHVTUYPMDPVBH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds2

About propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine

propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 170581879) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Namepropane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
PubChem CID170581879
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Namepropane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
SMILESCC(C)c1cnc(N2CCCC2)nc1.CCC
InChIInChI=1S/C11H17N3.C3H8/c1-9(2)10-7-12-11(13-8-10)14-5-3-4-6-14;1-3-2/h7-9H,3-6H2,1-2H3;3H2,1-2H3
InChIKeyUVHVTUYPMDPVBH-UHFFFAOYSA-N
XLogP3.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 170578273
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 155198588
ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine
CID 168923399
1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-amine
CID 103278591
2-(4-methylsulfanylpiperazin-1-yl)-5-propan-2-ylpyrimidine
CID 170578460
N,N-dimethyl-1-(2-piperidin-1-ylpyrimidin-5-yl)ethanamine
CID 175956773
N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
CID 116976203
2-(2-piperidin-1-ylpyrimidin-5-yl)propanoic acid
CID 83896634
5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine
CID 170409803

Frequently Asked Questions

What is the IUPAC name of propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine (CID 170581879) is propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine is CC(C)c1cnc(N2CCCC2)nc1.CCC.
What is the InChIKey of propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is UVHVTUYPMDPVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C3H8/c1-9(2)10-7-12-11(13-8-10)14-5-3-4-6-14;1-3-2/h7-9H,3-6H2,1-2H3;3H2,1-2H3.
What are the key properties of propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 235.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 170581879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).