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

C12H19N5OS — CID 103333442

IUPAC2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NN)nc2sccc12
InChIInChI=1S/C12H19N5OS/c1-3-12(4-2,7-18)16-9-8-5-6-19-10(8)15-11(14-9)17-13/h5-6,18H,3-4,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyYKWSVXZUEJBCNM-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.94
Rot. Bonds6

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

2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol (PubChem CID 103333442) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
PubChem CID103333442
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Name2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CC)(CO)Nc1nc(NN)nc2sccc12
InChIInChI=1S/C12H19N5OS/c1-3-12(4-2,7-18)16-9-8-5-6-19-10(8)15-11(14-9)17-13/h5-6,18H,3-4,7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyYKWSVXZUEJBCNM-UHFFFAOYSA-N
XLogP1.94
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
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'}

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Related Compounds

2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103327286
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 103334449
4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432
2-ethyl-2-[(2-hydrazinylquinazolin-4-yl)amino]propane-1,3-diol
CID 107868727
2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 103738500
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 103335379
[1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
CID 103335788
2-N-methyl-4-N-(2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323418
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 103335475
1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-3-ol
CID 103335755
N'-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 103335219

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol (CID 103333442) is 2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol is CCC(CC)(CO)Nc1nc(NN)nc2sccc12.
What is the InChIKey of 2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is YKWSVXZUEJBCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-3-12(4-2,7-18)16-9-8-5-6-19-10(8)15-11(14-9)17-13/h5-6,18H,3-4,7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol?
2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 281.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 103333442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).