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

C15H17FN4S — CID 901032

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C15H17FN4S/c1-21-15-17-7-6-14(18-15)20-10-8-19(9-11-20)13-4-2-12(16)3-5-13/h2-7H,8-11H2,1H3
InChIKeyTVYZELNGUHDIRQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.66
Rot. Bonds3

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

4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine (PubChem CID 901032) has the molecular formula C15H17FN4S and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
PubChem CID901032
Molecular FormulaC15H17FN4S
Molecular Weight304.39 g/mol
Exact Mass304.12
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C15H17FN4S/c1-21-15-17-7-6-14(18-15)20-10-8-19(9-11-20)13-4-2-12(16)3-5-13/h2-7H,8-11H2,1H3
InChIKeyTVYZELNGUHDIRQ-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 1911255
2-[4-(4-Fluorophenyl)piperazin-1-yl]-4,6-dimethylpyrimidine
CID 3165129
N2-(4-fluorophenyl)-N4-phenyl-N6-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 46913817
Bisanilinopyrimidine, 6l
CID 70702141
2-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 764708
N-(3-fluorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 895726
N-methyl-6-(methylsulfanylmethyl)-N-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3851518
2-(4-Phenylpiperazin-1-yl)pyrimidine
CID 5190582
5-(4-Phenyl-1-piperazinyl)-2,4-pyrimidinediamine
CID 137491959
2-methylsulfonyl-6-piperazin-1-yl-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 163290531
N-Methyl-N-phenyl-2-pyrimidinamine
CID 817457
N-Phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 690669

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine (CID 901032) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine is CSc1nccc(N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine?
The InChIKey is TVYZELNGUHDIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4S/c1-21-15-17-7-6-14(18-15)20-10-8-19(9-11-20)13-4-2-12(16)3-5-13/h2-7H,8-11H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine?
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine has a molecular weight of 304.39 g/mol, XLogP of 2.66, 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]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 901032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).