2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol

C10H12ClN5OS — CID 106436527

IUPAC2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESNNc1ncc(Cl)c(NCC(O)c2ccsc2)n1
InChIInChI=1S/C10H12ClN5OS/c11-7-3-14-10(16-12)15-9(7)13-4-8(17)6-1-2-18-5-6/h1-3,5,8,17H,4,12H2,(H2,13,14,15,16)
InChIKeyPRKVJAWYPMNGAM-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.62
Rot. Bonds5

About 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol

2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (PubChem CID 106436527) has the molecular formula C10H12ClN5OS and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
PubChem CID106436527
Molecular FormulaC10H12ClN5OS
Molecular Weight285.76 g/mol
Exact Mass285.05
IUPAC Name2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
SMILESNNc1ncc(Cl)c(NCC(O)c2ccsc2)n1
InChIInChI=1S/C10H12ClN5OS/c11-7-3-14-10(16-12)15-9(7)13-4-8(17)6-1-2-18-5-6/h1-3,5,8,17H,4,12H2,(H2,13,14,15,16)
InChIKeyPRKVJAWYPMNGAM-UHFFFAOYSA-N
XLogP1.62
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.62
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'}

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Related Compounds

2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188670
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 102975891
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436412
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
2-[(3-amino-5-bromo-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106434570
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80907262
2-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 106436486
4-[2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898809
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188611
1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80915615
5-chloro-N-(2,2-dimethylpropyl)-2-hydrazinylpyrimidin-4-amine
CID 80898024

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol (CID 106436527) is 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is NNc1ncc(Cl)c(NCC(O)c2ccsc2)n1.
What is the InChIKey of 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
The InChIKey is PRKVJAWYPMNGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5OS/c11-7-3-14-10(16-12)15-9(7)13-4-8(17)6-1-2-18-5-6/h1-3,5,8,17H,4,12H2,(H2,13,14,15,16).
What are the key properties of 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol?
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol has a molecular weight of 285.76 g/mol, XLogP of 1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 106436527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).