4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

C16H19F3N4S — CID 129286018

IUPAC4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESFC(F)(F)Cc1cc2c(N3CCC4(CCNC4)CC3)ncnc2s1
InChIInChI=1S/C16H19F3N4S/c17-16(18,19)8-11-7-12-13(21-10-22-14(12)24-11)23-5-2-15(3-6-23)1-4-20-9-15/h7,10,20H,1-6,8-9H2
InChIKeyJYYHNRRMTHYCKV-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.38
Rot. Bonds2

About 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (PubChem CID 129286018) has the molecular formula C16H19F3N4S and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
PubChem CID129286018
Molecular FormulaC16H19F3N4S
Molecular Weight356.42 g/mol
Exact Mass356.13
IUPAC Name4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESFC(F)(F)Cc1cc2c(N3CCC4(CCNC4)CC3)ncnc2s1
InChIInChI=1S/C16H19F3N4S/c17-16(18,19)8-11-7-12-13(21-10-22-14(12)24-11)23-5-2-15(3-6-23)1-4-20-9-15/h7,10,20H,1-6,8-9H2
InChIKeyJYYHNRRMTHYCKV-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (CID 129286018) is 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is FC(F)(F)Cc1cc2c(N3CCC4(CCNC4)CC3)ncnc2s1.
What is the InChIKey of 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The InChIKey is JYYHNRRMTHYCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4S/c17-16(18,19)8-11-7-12-13(21-10-22-14(12)24-11)23-5-2-15(3-6-23)1-4-20-9-15/h7,10,20H,1-6,8-9H2.
What are the key properties of 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine has a molecular weight of 356.42 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 129286018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).