4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile

C12H14F2N4S — CID 166602957

IUPAC4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1ncc(C#N)c(N2CCC(C(F)F)CC2)n1
InChIInChI=1S/C12H14F2N4S/c1-19-12-16-7-9(6-15)11(17-12)18-4-2-8(3-5-18)10(13)14/h7-8,10H,2-5H2,1H3
InChIKeyGUKBCHZLZBIALH-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.55
Rot. Bonds3

About 4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile

4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 166602957) has the molecular formula C12H14F2N4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID166602957
Molecular FormulaC12H14F2N4S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1ncc(C#N)c(N2CCC(C(F)F)CC2)n1
InChIInChI=1S/C12H14F2N4S/c1-19-12-16-7-9(6-15)11(17-12)18-4-2-8(3-5-18)10(13)14/h7-8,10H,2-5H2,1H3
InChIKeyGUKBCHZLZBIALH-UHFFFAOYSA-N
XLogP2.55
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile (CID 166602957) is 4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile is CSc1ncc(C#N)c(N2CCC(C(F)F)CC2)n1.
What is the InChIKey of 4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is GUKBCHZLZBIALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4S/c1-19-12-16-7-9(6-15)11(17-12)18-4-2-8(3-5-18)10(13)14/h7-8,10H,2-5H2,1H3.
What are the key properties of 4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile?
4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 284.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166602957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).