4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine

C11H17ClN2O — CID 64541092

IUPAC4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C(C)OCC)n1
InChIInChI=1S/C11H17ClN2O/c1-4-6-9-7-10(12)14-11(13-9)8(3)15-5-2/h7-8H,4-6H2,1-3H3
InChIKeyZADYWPGBZPRHRM-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.18
Rot. Bonds5

About 4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine

4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine (PubChem CID 64541092) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine
PubChem CID64541092
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C(C)OCC)n1
InChIInChI=1S/C11H17ClN2O/c1-4-6-9-7-10(12)14-11(13-9)8(3)15-5-2/h7-8H,4-6H2,1-3H3
InChIKeyZADYWPGBZPRHRM-UHFFFAOYSA-N
XLogP3.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.18
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-propylpyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine (CID 64541092) is 4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine is CCCc1cc(Cl)nc(C(C)OCC)n1.
What is the InChIKey of 4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine?
The InChIKey is ZADYWPGBZPRHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-4-6-9-7-10(12)14-11(13-9)8(3)15-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine?
4-chloro-2-(1-ethoxyethyl)-6-propylpyrimidine has a molecular weight of 228.72 g/mol, XLogP of 3.18, 5 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-propylpyrimidine is sourced from PubChem (CID 64541092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).