2-chloro-4-ethoxypyrimidine

C6H7ClN2O — CID 4737280

IUPAC2-chloro-4-ethoxypyrimidine
SMILESCCOc1ccnc(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-2-10-5-3-4-8-6(7)9-5/h3-4H,2H2,1H3
InChIKeyPXTBPZQWBZWDFS-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.53
Rot. Bonds2

About 2-chloro-4-ethoxypyrimidine

2-chloro-4-ethoxypyrimidine (PubChem CID 4737280) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-chloro-4-ethoxypyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethoxypyrimidine
PubChem CID4737280
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name2-chloro-4-ethoxypyrimidine
SMILESCCOc1ccnc(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-2-10-5-3-4-8-6(7)9-5/h3-4H,2H2,1H3
InChIKeyPXTBPZQWBZWDFS-UHFFFAOYSA-N
XLogP1.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxypyrimidine?
The IUPAC name of 2-chloro-4-ethoxypyrimidine (CID 4737280) is 2-chloro-4-ethoxypyrimidine.
What is the SMILES notation for 2-chloro-4-ethoxypyrimidine?
The canonical SMILES for 2-chloro-4-ethoxypyrimidine is CCOc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-ethoxypyrimidine?
The InChIKey is PXTBPZQWBZWDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-2-10-5-3-4-8-6(7)9-5/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-4-ethoxypyrimidine?
2-chloro-4-ethoxypyrimidine has a molecular weight of 158.59 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxypyrimidine is sourced from PubChem (CID 4737280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).