1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C19H23FN4O2S — CID 135095179

IUPAC1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESFc1cnc(N2CCC3(CC2)OCCc2sccc23)nc1N1CCOCC1
InChIInChI=1S/C19H23FN4O2S/c20-15-13-21-18(22-17(15)23-7-10-25-11-8-23)24-5-3-19(4-6-24)14-2-12-27-16(14)1-9-26-19/h2,12-13H,1,3-11H2
InChIKeyBDMXPGFDTXWZHH-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.58
Rot. Bonds2

About 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 135095179) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID135095179
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESFc1cnc(N2CCC3(CC2)OCCc2sccc23)nc1N1CCOCC1
InChIInChI=1S/C19H23FN4O2S/c20-15-13-21-18(22-17(15)23-7-10-25-11-8-23)24-5-3-19(4-6-24)14-2-12-27-16(14)1-9-26-19/h2,12-13H,1,3-11H2
InChIKeyBDMXPGFDTXWZHH-UHFFFAOYSA-N
XLogP2.58
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 135095179) is 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is Fc1cnc(N2CCC3(CC2)OCCc2sccc23)nc1N1CCOCC1.
What is the InChIKey of 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is BDMXPGFDTXWZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c20-15-13-21-18(22-17(15)23-7-10-25-11-8-23)24-5-3-19(4-6-24)14-2-12-27-16(14)1-9-26-19/h2,12-13H,1,3-11H2.
What are the key properties of 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 390.48 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 135095179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).