4-(difluoromethyl)-2-propylsulfanylpyrimidine

C8H10F2N2S — CID 163268271

IUPAC4-(difluoromethyl)-2-propylsulfanylpyrimidine
SMILESCCCSc1nccc(C(F)F)n1
InChIInChI=1S/C8H10F2N2S/c1-2-5-13-8-11-4-3-6(12-8)7(9)10/h3-4,7H,2,5H2,1H3
InChIKeyWGFLQRLFHGEZKH-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.92
Rot. Bonds4

About 4-(difluoromethyl)-2-propylsulfanylpyrimidine

4-(difluoromethyl)-2-propylsulfanylpyrimidine (PubChem CID 163268271) has the molecular formula C8H10F2N2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-propylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-propylsulfanylpyrimidine
PubChem CID163268271
Molecular FormulaC8H10F2N2S
Molecular Weight204.25 g/mol
Exact Mass204.05
IUPAC Name4-(difluoromethyl)-2-propylsulfanylpyrimidine
SMILESCCCSc1nccc(C(F)F)n1
InChIInChI=1S/C8H10F2N2S/c1-2-5-13-8-11-4-3-6(12-8)7(9)10/h3-4,7H,2,5H2,1H3
InChIKeyWGFLQRLFHGEZKH-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-propylsulfanylpyrimidine?
The IUPAC name of 4-(difluoromethyl)-2-propylsulfanylpyrimidine (CID 163268271) is 4-(difluoromethyl)-2-propylsulfanylpyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-2-propylsulfanylpyrimidine?
The canonical SMILES for 4-(difluoromethyl)-2-propylsulfanylpyrimidine is CCCSc1nccc(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-2-propylsulfanylpyrimidine?
The InChIKey is WGFLQRLFHGEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2S/c1-2-5-13-8-11-4-3-6(12-8)7(9)10/h3-4,7H,2,5H2,1H3.
What are the key properties of 4-(difluoromethyl)-2-propylsulfanylpyrimidine?
4-(difluoromethyl)-2-propylsulfanylpyrimidine has a molecular weight of 204.25 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-propylsulfanylpyrimidine is sourced from PubChem (CID 163268271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).