4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine

C11H17ClN2O — CID 64541302

IUPAC4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine
SMILESCCOC(C)c1nc(Cl)cc(C(C)C)n1
InChIInChI=1S/C11H17ClN2O/c1-5-15-8(4)11-13-9(7(2)3)6-10(12)14-11/h6-8H,5H2,1-4H3
InChIKeyYTKLDKJACAITSK-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.35
Rot. Bonds4

About 4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine

4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine (PubChem CID 64541302) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine
PubChem CID64541302
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine
SMILESCCOC(C)c1nc(Cl)cc(C(C)C)n1
InChIInChI=1S/C11H17ClN2O/c1-5-15-8(4)11-13-9(7(2)3)6-10(12)14-11/h6-8H,5H2,1-4H3
InChIKeyYTKLDKJACAITSK-UHFFFAOYSA-N
XLogP3.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine (CID 64541302) is 4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine is CCOC(C)c1nc(Cl)cc(C(C)C)n1.
What is the InChIKey of 4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine?
The InChIKey is YTKLDKJACAITSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-5-15-8(4)11-13-9(7(2)3)6-10(12)14-11/h6-8H,5H2,1-4H3.
What are the key properties of 4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine has a molecular weight of 228.72 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxyethyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 64541302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).