4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol

C12H15N3OS — CID 2481147

IUPAC4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ncnc3sccc23)CC1
InChIInChI=1S/C12H15N3OS/c16-9-3-1-8(2-4-9)15-11-10-5-6-17-12(10)14-7-13-11/h5-9,16H,1-4H2,(H,13,14,15)
InChIKeyGLWLSFWSHITGRU-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.41
Rot. Bonds2

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

4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol (PubChem CID 2481147) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol
PubChem CID2481147
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol
SMILESOC1CCC(Nc2ncnc3sccc23)CC1
InChIInChI=1S/C12H15N3OS/c16-9-3-1-8(2-4-9)15-11-10-5-6-17-12(10)14-7-13-11/h5-9,16H,1-4H2,(H,13,14,15)
InChIKeyGLWLSFWSHITGRU-UHFFFAOYSA-N
XLogP2.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol (CID 2481147) is 4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol is OC1CCC(Nc2ncnc3sccc23)CC1.
What is the InChIKey of 4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol?
The InChIKey is GLWLSFWSHITGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c16-9-3-1-8(2-4-9)15-11-10-5-6-17-12(10)14-7-13-11/h5-9,16H,1-4H2,(H,13,14,15).
What are the key properties of 4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol?
4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol has a molecular weight of 249.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thieno[2,3-d]pyrimidin-4-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 2481147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).