4-chloro-2-ethoxypyrimidine

C6H7ClN2O — CID 13244895

IUPAC4-chloro-2-ethoxypyrimidine
SMILESCCOc1nccc(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-2-10-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3
InChIKeyZNKCBAFPAIENRN-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.53
Rot. Bonds2

About 4-chloro-2-ethoxypyrimidine

4-chloro-2-ethoxypyrimidine (PubChem CID 13244895) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 4-chloro-2-ethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethoxypyrimidine
PubChem CID13244895
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name4-chloro-2-ethoxypyrimidine
SMILESCCOc1nccc(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-2-10-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3
InChIKeyZNKCBAFPAIENRN-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 4-chloro-2-ethoxypyrimidine?
The IUPAC name of 4-chloro-2-ethoxypyrimidine (CID 13244895) is 4-chloro-2-ethoxypyrimidine.
What is the SMILES notation for 4-chloro-2-ethoxypyrimidine?
The canonical SMILES for 4-chloro-2-ethoxypyrimidine is CCOc1nccc(Cl)n1.
What is the InChIKey of 4-chloro-2-ethoxypyrimidine?
The InChIKey is ZNKCBAFPAIENRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-2-10-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3.
What are the key properties of 4-chloro-2-ethoxypyrimidine?
4-chloro-2-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 4-chloro-2-ethoxypyrimidine is sourced from PubChem (CID 13244895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).