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

C16H19FN4S — CID 155798706

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine
SMILESCSc1ncc(C)c(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4S/c1-12-11-18-16(22-2)19-15(12)21-9-7-20(8-10-21)14-5-3-13(17)4-6-14/h3-6,11H,7-10H2,1-2H3
InChIKeyRITBAWZNYICHIW-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.97
Rot. Bonds3

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

4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine (PubChem CID 155798706) has the molecular formula C16H19FN4S and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine
PubChem CID155798706
Molecular FormulaC16H19FN4S
Molecular Weight318.42 g/mol
Exact Mass318.13
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine
SMILESCSc1ncc(C)c(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H19FN4S/c1-12-11-18-16(22-2)19-15(12)21-9-7-20(8-10-21)14-5-3-13(17)4-6-14/h3-6,11H,7-10H2,1-2H3
InChIKeyRITBAWZNYICHIW-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-methylsulfanyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 163343960
5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163344393
4-chloro-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 1484532
1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine
CID 115773799
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-6-methylpyridine-3-carboxylic acid
CID 72941267
5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
CID 66342373
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430797
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 56724718
[4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905055
5-bromo-2-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-3-amine
CID 61230190
1-(4-methoxyphenyl)-4-[4-(3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]piperazine
CID 12877034
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19137206

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine (CID 155798706) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine is CSc1ncc(C)c(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine?
The InChIKey is RITBAWZNYICHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4S/c1-12-11-18-16(22-2)19-15(12)21-9-7-20(8-10-21)14-5-3-13(17)4-6-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine?
4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine has a molecular weight of 318.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-5-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 155798706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).