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

C12H15FN6S — CID 80754207

IUPAC5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C12H15FN6S/c1-14-11-16-8-9(13)10(17-11)18-3-5-19(6-4-18)12-15-2-7-20-12/h2,7-8H,3-6H2,1H3,(H,14,16,17)
InChIKeyLMZATNYLGGYFJK-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.44
Rot. Bonds3

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

5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 80754207) has the molecular formula C12H15FN6S and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID80754207
Molecular FormulaC12H15FN6S
Molecular Weight294.36 g/mol
Exact Mass294.11
IUPAC Name5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C12H15FN6S/c1-14-11-16-8-9(13)10(17-11)18-3-5-19(6-4-18)12-15-2-7-20-12/h2,7-8H,3-6H2,1H3,(H,14,16,17)
InChIKeyLMZATNYLGGYFJK-UHFFFAOYSA-N
XLogP1.44
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (CID 80754207) is 5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is CNc1ncc(F)c(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is LMZATNYLGGYFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6S/c1-14-11-16-8-9(13)10(17-11)18-3-5-19(6-4-18)12-15-2-7-20-12/h2,7-8H,3-6H2,1H3,(H,14,16,17).
What are the key properties of 5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80754207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).