3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C13H19N5OS — CID 106138786

IUPAC3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNNc1nc(NCC2CCCC(O)C2)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c14-18-13-16-11(10-4-5-20-12(10)17-13)15-7-8-2-1-3-9(19)6-8/h4-5,8-9,19H,1-3,6-7,14H2,(H2,15,16,17,18)
InChIKeyDGQHYUIOXBTAHQ-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.94
Rot. Bonds4

About 3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106138786) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106138786
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNNc1nc(NCC2CCCC(O)C2)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c14-18-13-16-11(10-4-5-20-12(10)17-13)15-7-8-2-1-3-9(19)6-8/h4-5,8-9,19H,1-3,6-7,14H2,(H2,15,16,17,18)
InChIKeyDGQHYUIOXBTAHQ-UHFFFAOYSA-N
XLogP1.94
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]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 3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106138786) is 3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is NNc1nc(NCC2CCCC(O)C2)c2ccsc2n1.
What is the InChIKey of 3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is DGQHYUIOXBTAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c14-18-13-16-11(10-4-5-20-12(10)17-13)15-7-8-2-1-3-9(19)6-8/h4-5,8-9,19H,1-3,6-7,14H2,(H2,15,16,17,18).
What are the key properties of 3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 293.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).