6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine

C23H25FN6OS2 — CID 91614583

IUPAC6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(CN)sc2ncnc(Nc3ccc(F)cc3OC3CCN(Cc4nccs4)CC3)c12
InChIInChI=1S/C23H25FN6OS2/c1-14-19(11-25)33-23-21(14)22(27-13-28-23)29-17-3-2-15(24)10-18(17)31-16-4-7-30(8-5-16)12-20-26-6-9-32-20/h2-3,6,9-10,13,16H,4-5,7-8,11-12,25H2,1H3,(H,27,28,29)
InChIKeyNPLBOAZFPLUQRJ-UHFFFAOYSA-N
MW484.63 g/mol
LogP4.84
Rot. Bonds7

About 6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine

6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91614583) has the molecular formula C23H25FN6OS2 and a molecular weight of 484.63 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91614583
Molecular FormulaC23H25FN6OS2
Molecular Weight484.63 g/mol
Exact Mass484.15
IUPAC Name6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(CN)sc2ncnc(Nc3ccc(F)cc3OC3CCN(Cc4nccs4)CC3)c12
InChIInChI=1S/C23H25FN6OS2/c1-14-19(11-25)33-23-21(14)22(27-13-28-23)29-17-3-2-15(24)10-18(17)31-16-4-7-30(8-5-16)12-20-26-6-9-32-20/h2-3,6,9-10,13,16H,4-5,7-8,11-12,25H2,1H3,(H,27,28,29)
InChIKeyNPLBOAZFPLUQRJ-UHFFFAOYSA-N
XLogP4.84
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine (CID 91614583) is 6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine is Cc1c(CN)sc2ncnc(Nc3ccc(F)cc3OC3CCN(Cc4nccs4)CC3)c12.
What is the InChIKey of 6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NPLBOAZFPLUQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6OS2/c1-14-19(11-25)33-23-21(14)22(27-13-28-23)29-17-3-2-15(24)10-18(17)31-16-4-7-30(8-5-16)12-20-26-6-9-32-20/h2-3,6,9-10,13,16H,4-5,7-8,11-12,25H2,1H3,(H,27,28,29).
What are the key properties of 6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine?
6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 484.63 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[4-fluoro-2-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]oxyphenyl]-5-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91614583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).