2-propylsulfanylpyrimidine

C7H10N2S — CID 19027205

IUPAC2-propylsulfanylpyrimidine
SMILESCCCSc1ncccn1
InChIInChI=1S/C7H10N2S/c1-2-6-10-7-8-4-3-5-9-7/h3-5H,2,6H2,1H3
InChIKeyJKBKMIKSUBLJRK-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.98
Rot. Bonds3

About 2-propylsulfanylpyrimidine

2-propylsulfanylpyrimidine (PubChem CID 19027205) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-propylsulfanylpyrimidine.

Molecular Properties

Compound Name2-propylsulfanylpyrimidine
PubChem CID19027205
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-propylsulfanylpyrimidine
SMILESCCCSc1ncccn1
InChIInChI=1S/C7H10N2S/c1-2-6-10-7-8-4-3-5-9-7/h3-5H,2,6H2,1H3
InChIKeyJKBKMIKSUBLJRK-UHFFFAOYSA-N
XLogP1.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanylpyrimidine?
The IUPAC name of 2-propylsulfanylpyrimidine (CID 19027205) is 2-propylsulfanylpyrimidine.
What is the SMILES notation for 2-propylsulfanylpyrimidine?
The canonical SMILES for 2-propylsulfanylpyrimidine is CCCSc1ncccn1.
What is the InChIKey of 2-propylsulfanylpyrimidine?
The InChIKey is JKBKMIKSUBLJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-6-10-7-8-4-3-5-9-7/h3-5H,2,6H2,1H3.
What are the key properties of 2-propylsulfanylpyrimidine?
2-propylsulfanylpyrimidine has a molecular weight of 154.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanylpyrimidine is sourced from PubChem (CID 19027205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).