4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine

C15H25ClN2O — CID 63736036

IUPAC4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine
SMILESCCCCC(CC)COc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C15H25ClN2O/c1-5-7-8-12(6-2)9-19-15-13(11(3)4)14(16)17-10-18-15/h10-12H,5-9H2,1-4H3
InChIKeyGUFRZTIERZHTCH-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.85
Rot. Bonds8

About 4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine

4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine (PubChem CID 63736036) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine
PubChem CID63736036
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine
SMILESCCCCC(CC)COc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C15H25ClN2O/c1-5-7-8-12(6-2)9-19-15-13(11(3)4)14(16)17-10-18-15/h10-12H,5-9H2,1-4H3
InChIKeyGUFRZTIERZHTCH-UHFFFAOYSA-N
XLogP4.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-butylphenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 115492542
4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
CID 63735708
4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine
CID 63734538
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-[5-chloro-6-(2-ethylhexoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291293
2-(chloromethyl)-6-(2-ethylhexoxy)pyridine
CID 63446521
6-(2-ethylhexoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989394
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine
CID 63499413
[1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine
CID 106777323
3-(chloromethyl)-2-(2-ethylhexoxy)-4,6-dimethylpyridine
CID 55200147
3-bromo-2-(2-ethylhexoxy)-4-methylpyridine
CID 106877875

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine (CID 63736036) is 4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine is CCCCC(CC)COc1ncnc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine?
The InChIKey is GUFRZTIERZHTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-5-7-8-12(6-2)9-19-15-13(11(3)4)14(16)17-10-18-15/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine?
4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine has a molecular weight of 284.83 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63736036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).