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

C17H22N6O2S — CID 135128263

IUPAC4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOCCn1cc(Nc2nc(NC3CCC(O)CC3)c3sccc3n2)cn1
InChIInChI=1S/C17H22N6O2S/c24-7-6-23-10-12(9-18-23)20-17-21-14-5-8-26-15(14)16(22-17)19-11-1-3-13(25)4-2-11/h5,8-11,13,24-25H,1-4,6-7H2,(H2,19,20,21,22)
InChIKeyVCKSUKQSWQHCNU-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.34
Rot. Bonds6

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

4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 135128263) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID135128263
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOCCn1cc(Nc2nc(NC3CCC(O)CC3)c3sccc3n2)cn1
InChIInChI=1S/C17H22N6O2S/c24-7-6-23-10-12(9-18-23)20-17-21-14-5-8-26-15(14)16(22-17)19-11-1-3-13(25)4-2-11/h5,8-11,13,24-25H,1-4,6-7H2,(H2,19,20,21,22)
InChIKeyVCKSUKQSWQHCNU-UHFFFAOYSA-N
XLogP2.34
TPSA108.12 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 135128263) is 4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is OCCn1cc(Nc2nc(NC3CCC(O)CC3)c3sccc3n2)cn1.
What is the InChIKey of 4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is VCKSUKQSWQHCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c24-7-6-23-10-12(9-18-23)20-17-21-14-5-8-26-15(14)16(22-17)19-11-1-3-13(25)4-2-11/h5,8-11,13,24-25H,1-4,6-7H2,(H2,19,20,21,22).
What are the key properties of 4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 374.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 135128263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).