5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine

C11H13FN6S — CID 80753655

IUPAC5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C11H13FN6S/c12-8-7-15-10(13)16-9(8)17-2-4-18(5-3-17)11-14-1-6-19-11/h1,6-7H,2-5H2,(H2,13,15,16)
InChIKeyQVGIUTCDRJIAHY-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.98
Rot. Bonds2

About 5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine

5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 80753655) has the molecular formula C11H13FN6S and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID80753655
Molecular FormulaC11H13FN6S
Molecular Weight280.33 g/mol
Exact Mass280.09
IUPAC Name5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1ncc(F)c(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C11H13FN6S/c12-8-7-15-10(13)16-9(8)17-2-4-18(5-3-17)11-14-1-6-19-11/h1,6-7H,2-5H2,(H2,13,15,16)
InChIKeyQVGIUTCDRJIAHY-UHFFFAOYSA-N
XLogP0.98
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (CID 80753655) is 5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is Nc1ncc(F)c(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is QVGIUTCDRJIAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6S/c12-8-7-15-10(13)16-9(8)17-2-4-18(5-3-17)11-14-1-6-19-11/h1,6-7H,2-5H2,(H2,13,15,16).
What are the key properties of 5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80753655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).