4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine

C8H9ClN2OS — CID 156880576

IUPAC4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OC2CC2)n1
InChIInChI=1S/C8H9ClN2OS/c1-13-8-10-6(9)4-7(11-8)12-5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyARMREGWFVJELOQ-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.39
Rot. Bonds3

About 4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine

4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine (PubChem CID 156880576) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine
PubChem CID156880576
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OC2CC2)n1
InChIInChI=1S/C8H9ClN2OS/c1-13-8-10-6(9)4-7(11-8)12-5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyARMREGWFVJELOQ-UHFFFAOYSA-N
XLogP2.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine (CID 156880576) is 4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(OC2CC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine?
The InChIKey is ARMREGWFVJELOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c1-13-8-10-6(9)4-7(11-8)12-5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine?
4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine has a molecular weight of 216.69 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyloxy-2-methylsulfanylpyrimidine is sourced from PubChem (CID 156880576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).