2-ethoxy-4-ethylpyrimidine

C8H12N2O — CID 59746129

IUPAC2-ethoxy-4-ethylpyrimidine
SMILESCCOc1nccc(CC)n1
InChIInChI=1S/C8H12N2O/c1-3-7-5-6-9-8(10-7)11-4-2/h5-6H,3-4H2,1-2H3
InChIKeyWQHAMFKUGPSXMK-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.44
Rot. Bonds3

About 2-ethoxy-4-ethylpyrimidine

2-ethoxy-4-ethylpyrimidine (PubChem CID 59746129) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-ethoxy-4-ethylpyrimidine.

Molecular Properties

Compound Name2-ethoxy-4-ethylpyrimidine
PubChem CID59746129
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-ethoxy-4-ethylpyrimidine
SMILESCCOc1nccc(CC)n1
InChIInChI=1S/C8H12N2O/c1-3-7-5-6-9-8(10-7)11-4-2/h5-6H,3-4H2,1-2H3
InChIKeyWQHAMFKUGPSXMK-UHFFFAOYSA-N
XLogP1.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-Butylpyrimidin-2-amine
CID 12450631
4-Tert-butyl-2-chloropyrimidine
CID 12450625
2-(Pyrimidin-4-yl)acetonitrile
CID 14169572
4-Cyclopropylpyrimidin-2-amine
CID 3299593
2-Chloro-4-ethylpyrimidine
CID 15783026
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
4-tert-butyl-N,N-dimethylpyrimidin-2-amine
CID 12450609
4-tert-butyl-N-methylpyrimidin-2-amine
CID 12450610
4-ethyl-N,N-dimethylpyrimidin-2-amine
CID 44347601
4-Isobutylpyrimidine
CID 565104
4-Cyclohexylpyrimidine
CID 11672715

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-ethylpyrimidine?
The IUPAC name of 2-ethoxy-4-ethylpyrimidine (CID 59746129) is 2-ethoxy-4-ethylpyrimidine.
What is the SMILES notation for 2-ethoxy-4-ethylpyrimidine?
The canonical SMILES for 2-ethoxy-4-ethylpyrimidine is CCOc1nccc(CC)n1.
What is the InChIKey of 2-ethoxy-4-ethylpyrimidine?
The InChIKey is WQHAMFKUGPSXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7-5-6-9-8(10-7)11-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-4-ethylpyrimidine?
2-ethoxy-4-ethylpyrimidine has a molecular weight of 152.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-ethylpyrimidine is sourced from PubChem (CID 59746129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).