7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane

C17H21FN4S — CID 118746779

IUPAC7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(CCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C17H21FN4S/c18-14-9-19-16(20-10-14)22-6-2-4-17(13-22)5-7-21(12-17)11-15-3-1-8-23-15/h1,3,8-10H,2,4-7,11-13H2
InChIKeyXIHAUTCLUGHFLR-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.17
Rot. Bonds3

About 7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane

7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane (PubChem CID 118746779) has the molecular formula C17H21FN4S and a molecular weight of 332.45 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane
PubChem CID118746779
Molecular FormulaC17H21FN4S
Molecular Weight332.45 g/mol
Exact Mass332.15
IUPAC Name7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane
SMILESFc1cnc(N2CCCC3(CCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C17H21FN4S/c18-14-9-19-16(20-10-14)22-6-2-4-17(13-22)5-7-21(12-17)11-15-3-1-8-23-15/h1,3,8-10H,2,4-7,11-13H2
InChIKeyXIHAUTCLUGHFLR-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane (CID 118746779) is 7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane is Fc1cnc(N2CCCC3(CCN(Cc4cccs4)C3)C2)nc1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane?
The InChIKey is XIHAUTCLUGHFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4S/c18-14-9-19-16(20-10-14)22-6-2-4-17(13-22)5-7-21(12-17)11-15-3-1-8-23-15/h1,3,8-10H,2,4-7,11-13H2.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane?
7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane has a molecular weight of 332.45 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoropyrimidin-2-yl)-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 118746779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).