4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine

C14H17FN6S — CID 155798281

IUPAC4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine
SMILESCSc1ncc(C)c(N2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C14H17FN6S/c1-10-7-18-14(22-2)19-12(10)20-3-5-21(6-4-20)13-16-8-11(15)9-17-13/h7-9H,3-6H2,1-2H3
InChIKeyZNJHODHMKNWUAK-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.76
Rot. Bonds3

About 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine

4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine (PubChem CID 155798281) has the molecular formula C14H17FN6S and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine
PubChem CID155798281
Molecular FormulaC14H17FN6S
Molecular Weight320.40 g/mol
Exact Mass320.12
IUPAC Name4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine
SMILESCSc1ncc(C)c(N2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C14H17FN6S/c1-10-7-18-14(22-2)19-12(10)20-3-5-21(6-4-20)13-16-8-11(15)9-17-13/h7-9H,3-6H2,1-2H3
InChIKeyZNJHODHMKNWUAK-UHFFFAOYSA-N
XLogP1.76
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine (CID 155798281) is 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine is CSc1ncc(C)c(N2CCN(c3ncc(F)cn3)CC2)n1.
What is the InChIKey of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine?
The InChIKey is ZNJHODHMKNWUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6S/c1-10-7-18-14(22-2)19-12(10)20-3-5-21(6-4-20)13-16-8-11(15)9-17-13/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine?
4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine has a molecular weight of 320.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 155798281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).