4-chloro-6-ethoxy-2-methylsulfanylpyrimidine

C7H9ClN2OS — CID 53385553

IUPAC4-chloro-6-ethoxy-2-methylsulfanylpyrimidine
SMILESCCOc1cc(Cl)nc(SC)n1
InChIInChI=1S/C7H9ClN2OS/c1-3-11-6-4-5(8)9-7(10-6)12-2/h4H,3H2,1-2H3
InChIKeyUGHUXTAMHJKMPX-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.25
Rot. Bonds3

About 4-chloro-6-ethoxy-2-methylsulfanylpyrimidine

4-chloro-6-ethoxy-2-methylsulfanylpyrimidine (PubChem CID 53385553) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-2-methylsulfanylpyrimidine
PubChem CID53385553
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name4-chloro-6-ethoxy-2-methylsulfanylpyrimidine
SMILESCCOc1cc(Cl)nc(SC)n1
InChIInChI=1S/C7H9ClN2OS/c1-3-11-6-4-5(8)9-7(10-6)12-2/h4H,3H2,1-2H3
InChIKeyUGHUXTAMHJKMPX-UHFFFAOYSA-N
XLogP2.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-ethoxy-2-methylsulfanylpyrimidine (CID 53385553) is 4-chloro-6-ethoxy-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-ethoxy-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-ethoxy-2-methylsulfanylpyrimidine is CCOc1cc(Cl)nc(SC)n1.
What is the InChIKey of 4-chloro-6-ethoxy-2-methylsulfanylpyrimidine?
The InChIKey is UGHUXTAMHJKMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-3-11-6-4-5(8)9-7(10-6)12-2/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethoxy-2-methylsulfanylpyrimidine?
4-chloro-6-ethoxy-2-methylsulfanylpyrimidine has a molecular weight of 204.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-2-methylsulfanylpyrimidine is sourced from PubChem (CID 53385553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).