2-(2,2-dimethylpropyl)-5-ethylpyrimidine

C11H18N2 — CID 146228147

IUPAC2-(2,2-dimethylpropyl)-5-ethylpyrimidine
SMILESCCc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/C11H18N2/c1-5-9-7-12-10(13-8-9)6-11(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyYQFUOWCHYSXGRP-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.63
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-5-ethylpyrimidine

2-(2,2-dimethylpropyl)-5-ethylpyrimidine (PubChem CID 146228147) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-ethylpyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-ethylpyrimidine
PubChem CID146228147
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-(2,2-dimethylpropyl)-5-ethylpyrimidine
SMILESCCc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/C11H18N2/c1-5-9-7-12-10(13-8-9)6-11(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyYQFUOWCHYSXGRP-UHFFFAOYSA-N
XLogP2.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-ethylpyrimidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-ethylpyrimidine (CID 146228147) is 2-(2,2-dimethylpropyl)-5-ethylpyrimidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-ethylpyrimidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-ethylpyrimidine is CCc1cnc(CC(C)(C)C)nc1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-ethylpyrimidine?
The InChIKey is YQFUOWCHYSXGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-9-7-12-10(13-8-9)6-11(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-ethylpyrimidine?
2-(2,2-dimethylpropyl)-5-ethylpyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-ethylpyrimidine is sourced from PubChem (CID 146228147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).