4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol

C20H25F3N4OS — CID 129286044

IUPAC4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol
SMILESOC1CCC(CN2CC3(C2)CN(c2ncnc4sc(CC(F)(F)F)cc24)C3)CC1
InChIInChI=1S/C20H25F3N4OS/c21-20(22,23)6-15-5-16-17(24-12-25-18(16)29-15)27-10-19(11-27)8-26(9-19)7-13-1-3-14(28)4-2-13/h5,12-14,28H,1-4,6-11H2
InChIKeyRSVBANMKPBHWRZ-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.47
Rot. Bonds4

About 4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol

4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol (PubChem CID 129286044) has the molecular formula C20H25F3N4OS and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol
PubChem CID129286044
Molecular FormulaC20H25F3N4OS
Molecular Weight426.51 g/mol
Exact Mass426.17
IUPAC Name4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol
SMILESOC1CCC(CN2CC3(C2)CN(c2ncnc4sc(CC(F)(F)F)cc24)C3)CC1
InChIInChI=1S/C20H25F3N4OS/c21-20(22,23)6-15-5-16-17(24-12-25-18(16)29-15)27-10-19(11-27)8-26(9-19)7-13-1-3-14(28)4-2-13/h5,12-14,28H,1-4,6-11H2
InChIKeyRSVBANMKPBHWRZ-UHFFFAOYSA-N
XLogP3.47
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-(2-Benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129286056
[1-(6-Phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 3902316
3-[(1-Benzylpiperidin-4-yl)-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 86296499
2-[(1-Benzylpiperidin-4-yl)-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 86296500
3-[(1-Benzylpiperidin-4-yl)-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
CID 86296501
4-[4-[(1-Benzylpiperidin-4-yl)amino]thieno[2,3-d]pyrimidin-6-yl]-3,3-difluorobutan-1-ol
CID 86296502
2-[5-(4-Aminothieno[2,3-d]pyrimidin-6-yl)-4-phenyl-1-(trifluoromethyl)imidazol-1-ium-1-yl]ethanol
CID 87730364
(3S,4S)-1-benzyl-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 90405631
1-Benzyl-4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-3-ol
CID 90405633
trans-1-Benzyl-4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-3-ol
CID 90405634
4-[2-[(4,4-Difluorocyclohexyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129285980
4-[6-(Cyclohexylmethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 129285994

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol (CID 129286044) is 4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol is OC1CCC(CN2CC3(C2)CN(c2ncnc4sc(CC(F)(F)F)cc24)C3)CC1.
What is the InChIKey of 4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol?
The InChIKey is RSVBANMKPBHWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4OS/c21-20(22,23)6-15-5-16-17(24-12-25-18(16)29-15)27-10-19(11-27)8-26(9-19)7-13-1-3-14(28)4-2-13/h5,12-14,28H,1-4,6-11H2.
What are the key properties of 4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol?
4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol has a molecular weight of 426.51 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 129286044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).