2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine

C15H18N6S — CID 56875783

IUPAC2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine
SMILESCCCSc1ncc(-c2nccn2CCn2cccn2)cn1
InChIInChI=1S/C15H18N6S/c1-2-10-22-15-17-11-13(12-18-15)14-16-5-7-20(14)8-9-21-6-3-4-19-21/h3-7,11-12H,2,8-10H2,1H3
InChIKeyXKPURXZWKKBIQS-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.74
Rot. Bonds7

About 2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine

2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine (PubChem CID 56875783) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine
PubChem CID56875783
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine
SMILESCCCSc1ncc(-c2nccn2CCn2cccn2)cn1
InChIInChI=1S/C15H18N6S/c1-2-10-22-15-17-11-13(12-18-15)14-16-5-7-20(14)8-9-21-6-3-4-19-21/h3-7,11-12H,2,8-10H2,1H3
InChIKeyXKPURXZWKKBIQS-UHFFFAOYSA-N
XLogP2.74
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine?
The IUPAC name of 2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine (CID 56875783) is 2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine is CCCSc1ncc(-c2nccn2CCn2cccn2)cn1.
What is the InChIKey of 2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine?
The InChIKey is XKPURXZWKKBIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-2-10-22-15-17-11-13(12-18-15)14-16-5-7-20(14)8-9-21-6-3-4-19-21/h3-7,11-12H,2,8-10H2,1H3.
What are the key properties of 2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine?
2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine has a molecular weight of 314.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-5-[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]pyrimidine is sourced from PubChem (CID 56875783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).