2-tert-butyl-5-cyclopentyloxypyrimidine

C13H20N2O — CID 58088013

IUPAC2-tert-butyl-5-cyclopentyloxypyrimidine
SMILESCC(C)(C)c1ncc(OC2CCCC2)cn1
InChIInChI=1S/C13H20N2O/c1-13(2,3)12-14-8-11(9-15-12)16-10-6-4-5-7-10/h8-10H,4-7H2,1-3H3
InChIKeyHLBWYFGEPYSUGY-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.10
Rot. Bonds2

About 2-tert-butyl-5-cyclopentyloxypyrimidine

2-tert-butyl-5-cyclopentyloxypyrimidine (PubChem CID 58088013) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopentyloxypyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopentyloxypyrimidine
PubChem CID58088013
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-tert-butyl-5-cyclopentyloxypyrimidine
SMILESCC(C)(C)c1ncc(OC2CCCC2)cn1
InChIInChI=1S/C13H20N2O/c1-13(2,3)12-14-8-11(9-15-12)16-10-6-4-5-7-10/h8-10H,4-7H2,1-3H3
InChIKeyHLBWYFGEPYSUGY-UHFFFAOYSA-N
XLogP3.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-5-cyclopentyloxypyrimidine 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

5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyrimidine
CID 21309645
5-((S)-1-Methyl-azetidin-2-ylmethoxy)-pyrimidine
CID 44325671
4-N-butyl-5-propan-2-yloxypyrimidine-2,4-diamine
CID 70856469
5-[(1-Methylpyrrolidin-2-yl)methoxy]pyrimidine
CID 21851813
5-(1-Methyl-pyrrolidin-3-yloxy)-pyrimidine
CID 44325618
4-N-butyl-5-propoxypyrimidine-2,4-diamine
CID 70856429
4-N-butyl-5-ethoxypyrimidine-2,4-diamine
CID 70856441
5-ethoxy-4-N-pentylpyrimidine-2,4-diamine
CID 70856447
5-Cyclohexyloxypyrimidine-2,4-diamine
CID 44531860
2-Chloro-5-(propan-2-yloxy)pyrimidine
CID 58057924
5-Methoxypyrimidine-2-carbonitrile
CID 3715049
5-Pentyloxypyrimidine-2-carboxylic acid
CID 13660582

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopentyloxypyrimidine?
The IUPAC name of 2-tert-butyl-5-cyclopentyloxypyrimidine (CID 58088013) is 2-tert-butyl-5-cyclopentyloxypyrimidine.
What is the SMILES notation for 2-tert-butyl-5-cyclopentyloxypyrimidine?
The canonical SMILES for 2-tert-butyl-5-cyclopentyloxypyrimidine is CC(C)(C)c1ncc(OC2CCCC2)cn1.
What is the InChIKey of 2-tert-butyl-5-cyclopentyloxypyrimidine?
The InChIKey is HLBWYFGEPYSUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)12-14-8-11(9-15-12)16-10-6-4-5-7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5-cyclopentyloxypyrimidine?
2-tert-butyl-5-cyclopentyloxypyrimidine has a molecular weight of 220.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclopentyloxypyrimidine is sourced from PubChem (CID 58088013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).