2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol

C13H17N3OS2 — CID 133357905

IUPAC2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1ncnc2sccc12
InChIInChI=1S/C13H17N3OS2/c1-2-18-10-3-5-13(10,17)7-14-11-9-4-6-19-12(9)16-8-15-11/h4,6,8,10,17H,2-3,5,7H2,1H3,(H,14,15,16)
InChIKeyHHILCBZJZGQYIU-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.75
Rot. Bonds5

About 2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol

2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol (PubChem CID 133357905) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol
PubChem CID133357905
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol
SMILESCCSC1CCC1(O)CNc1ncnc2sccc12
InChIInChI=1S/C13H17N3OS2/c1-2-18-10-3-5-13(10,17)7-14-11-9-4-6-19-12(9)16-8-15-11/h4,6,8,10,17H,2-3,5,7H2,1H3,(H,14,15,16)
InChIKeyHHILCBZJZGQYIU-UHFFFAOYSA-N
XLogP2.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol with MolForge

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Related Compounds

N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 107413822
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79358667
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol
CID 124506194
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133311493
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
CID 115622916
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133272336
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 115637407

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol (CID 133357905) is 2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol is CCSC1CCC1(O)CNc1ncnc2sccc12.
What is the InChIKey of 2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol?
The InChIKey is HHILCBZJZGQYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-2-18-10-3-5-13(10,17)7-14-11-9-4-6-19-12(9)16-8-15-11/h4,6,8,10,17H,2-3,5,7H2,1H3,(H,14,15,16).
What are the key properties of 2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol?
2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 133357905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).