4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine

C16H19FN6S — CID 155798373

IUPAC4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nc(C2CC2)cc(N2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C16H19FN6S/c1-24-16-20-13(11-2-3-11)8-14(21-16)22-4-6-23(7-5-22)15-18-9-12(17)10-19-15/h8-11H,2-7H2,1H3
InChIKeyZKRVEMZCLVVVMB-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.33
Rot. Bonds4

About 4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine

4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine (PubChem CID 155798373) has the molecular formula C16H19FN6S and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine
PubChem CID155798373
Molecular FormulaC16H19FN6S
Molecular Weight346.44 g/mol
Exact Mass346.14
IUPAC Name4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nc(C2CC2)cc(N2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C16H19FN6S/c1-24-16-20-13(11-2-3-11)8-14(21-16)22-4-6-23(7-5-22)15-18-9-12(17)10-19-15/h8-11H,2-7H2,1H3
InChIKeyZKRVEMZCLVVVMB-UHFFFAOYSA-N
XLogP2.33
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine (CID 155798373) is 4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine is CSc1nc(C2CC2)cc(N2CCN(c3ncc(F)cn3)CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine?
The InChIKey is ZKRVEMZCLVVVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6S/c1-24-16-20-13(11-2-3-11)8-14(21-16)22-4-6-23(7-5-22)15-18-9-12(17)10-19-15/h8-11H,2-7H2,1H3.
What are the key properties of 4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine?
4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine has a molecular weight of 346.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 155798373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).