2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C13H19N5OS — CID 103333025

IUPAC2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESNNc1nc(N(CCO)C2CCCC2)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c14-17-13-15-11(10-5-8-20-12(10)16-13)18(6-7-19)9-3-1-2-4-9/h5,8-9,19H,1-4,6-7,14H2,(H,15,16,17)
InChIKeyORDMCFZOIDVFIZ-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.72
Rot. Bonds5

About 2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 103333025) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID103333025
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESNNc1nc(N(CCO)C2CCCC2)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c14-17-13-15-11(10-5-8-20-12(10)16-13)18(6-7-19)9-3-1-2-4-9/h5,8-9,19H,1-4,6-7,14H2,(H,15,16,17)
InChIKeyORDMCFZOIDVFIZ-UHFFFAOYSA-N
XLogP1.72
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103333014
N-cyclopropyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335410
N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335783
2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 54999057
4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325749
N-(4-ethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332677
N-(4,4-dimethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334638
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904782
N-cyclopentyl-N-ethyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332300
4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326591
2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103334518
2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334358

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 103333025) is 2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is NNc1nc(N(CCO)C2CCCC2)c2ccsc2n1.
What is the InChIKey of 2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is ORDMCFZOIDVFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c14-17-13-15-11(10-5-8-20-12(10)16-13)18(6-7-19)9-3-1-2-4-9/h5,8-9,19H,1-4,6-7,14H2,(H,15,16,17).
What are the key properties of 2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 293.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 103333025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).