2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine

C10H14N2S — CID 129256640

IUPAC2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine
SMILESCCCS/C=C/c1ccnc(C)n1
InChIInChI=1S/C10H14N2S/c1-3-7-13-8-5-10-4-6-11-9(2)12-10/h4-6,8H,3,7H2,1-2H3/b8-5+
InChIKeyQATRZZAKKNPYBJ-VMPITWQZSA-N
MW194.30 g/mol
LogP2.90
Rot. Bonds4

About 2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine

2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine (PubChem CID 129256640) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine
PubChem CID129256640
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine
SMILESCCCS/C=C/c1ccnc(C)n1
InChIInChI=1S/C10H14N2S/c1-3-7-13-8-5-10-4-6-11-9(2)12-10/h4-6,8H,3,7H2,1-2H3/b8-5+
InChIKeyQATRZZAKKNPYBJ-VMPITWQZSA-N
XLogP2.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine?
The IUPAC name of 2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine (CID 129256640) is 2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine?
The canonical SMILES for 2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine is CCCS/C=C/c1ccnc(C)n1.
What is the InChIKey of 2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine?
The InChIKey is QATRZZAKKNPYBJ-VMPITWQZSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-7-13-8-5-10-4-6-11-9(2)12-10/h4-6,8H,3,7H2,1-2H3/b8-5+.
What are the key properties of 2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine?
2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine has a molecular weight of 194.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(E)-2-propylsulfanylethenyl]pyrimidine is sourced from PubChem (CID 129256640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).