2-phenyl-4-propylsulfanylpyrimidine

C13H14N2S — CID 141154626

IUPAC2-phenyl-4-propylsulfanylpyrimidine
SMILESCCCSc1ccnc(-c2ccccc2)n1
InChIInChI=1S/C13H14N2S/c1-2-10-16-12-8-9-14-13(15-12)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyPPFMCRRIJHNSOL-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.65
Rot. Bonds4

About 2-phenyl-4-propylsulfanylpyrimidine

2-phenyl-4-propylsulfanylpyrimidine (PubChem CID 141154626) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-phenyl-4-propylsulfanylpyrimidine.

Molecular Properties

Compound Name2-phenyl-4-propylsulfanylpyrimidine
PubChem CID141154626
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-phenyl-4-propylsulfanylpyrimidine
SMILESCCCSc1ccnc(-c2ccccc2)n1
InChIInChI=1S/C13H14N2S/c1-2-10-16-12-8-9-14-13(15-12)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyPPFMCRRIJHNSOL-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propylsulfanylpyrimidine?
The IUPAC name of 2-phenyl-4-propylsulfanylpyrimidine (CID 141154626) is 2-phenyl-4-propylsulfanylpyrimidine.
What is the SMILES notation for 2-phenyl-4-propylsulfanylpyrimidine?
The canonical SMILES for 2-phenyl-4-propylsulfanylpyrimidine is CCCSc1ccnc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-4-propylsulfanylpyrimidine?
The InChIKey is PPFMCRRIJHNSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-10-16-12-8-9-14-13(15-12)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of 2-phenyl-4-propylsulfanylpyrimidine?
2-phenyl-4-propylsulfanylpyrimidine has a molecular weight of 230.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propylsulfanylpyrimidine is sourced from PubChem (CID 141154626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).