4-chloro-2-methylsulfanyl-6-propylpyrimidine

C8H11ClN2S — CID 75132210

IUPAC4-chloro-2-methylsulfanyl-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(SC)n1
InChIInChI=1S/C8H11ClN2S/c1-3-4-6-5-7(9)11-8(10-6)12-2/h5H,3-4H2,1-2H3
InChIKeyRDNNFXYTANSGOM-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.80
Rot. Bonds3

About 4-chloro-2-methylsulfanyl-6-propylpyrimidine

4-chloro-2-methylsulfanyl-6-propylpyrimidine (PubChem CID 75132210) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-propylpyrimidine
PubChem CID75132210
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name4-chloro-2-methylsulfanyl-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(SC)n1
InChIInChI=1S/C8H11ClN2S/c1-3-4-6-5-7(9)11-8(10-6)12-2/h5H,3-4H2,1-2H3
InChIKeyRDNNFXYTANSGOM-UHFFFAOYSA-N
XLogP2.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-propylpyrimidine (CID 75132210) is 4-chloro-2-methylsulfanyl-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-propylpyrimidine is CCCc1cc(Cl)nc(SC)n1.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-propylpyrimidine?
The InChIKey is RDNNFXYTANSGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c1-3-4-6-5-7(9)11-8(10-6)12-2/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-methylsulfanyl-6-propylpyrimidine?
4-chloro-2-methylsulfanyl-6-propylpyrimidine has a molecular weight of 202.71 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-6-propylpyrimidine is sourced from PubChem (CID 75132210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).