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

C17H19N5OS — CID 135128197

IUPAC4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3ccncc3)nc3ccsc23)CC1
InChIInChI=1S/C17H19N5OS/c23-13-3-1-11(2-4-13)19-16-15-14(7-10-24-15)21-17(22-16)20-12-5-8-18-9-6-12/h5-11,13,23H,1-4H2,(H2,18,19,20,21,22)
InChIKeyNYBUUEBHPXSHRZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.55
Rot. Bonds4

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

4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 135128197) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID135128197
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3ccncc3)nc3ccsc23)CC1
InChIInChI=1S/C17H19N5OS/c23-13-3-1-11(2-4-13)19-16-15-14(7-10-24-15)21-17(22-16)20-12-5-8-18-9-6-12/h5-11,13,23H,1-4H2,(H2,18,19,20,21,22)
InChIKeyNYBUUEBHPXSHRZ-UHFFFAOYSA-N
XLogP3.55
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 135128197) is 4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Nc3ccncc3)nc3ccsc23)CC1.
What is the InChIKey of 4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is NYBUUEBHPXSHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c23-13-3-1-11(2-4-13)19-16-15-14(7-10-24-15)21-17(22-16)20-12-5-8-18-9-6-12/h5-11,13,23H,1-4H2,(H2,18,19,20,21,22).
What are the key properties of 4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 341.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(pyridin-4-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 135128197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).