[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C13H20N4OS — CID 114208585

IUPAC[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCC(CC)COCc1nc(NN)c2ccsc2n1
InChIInChI=1S/C13H20N4OS/c1-3-9(4-2)7-18-8-11-15-12(17-14)10-5-6-19-13(10)16-11/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyROLOIUIFMOPKTR-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.93
Rot. Bonds7

About [2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 114208585) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is [2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID114208585
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCC(CC)COCc1nc(NN)c2ccsc2n1
InChIInChI=1S/C13H20N4OS/c1-3-9(4-2)7-18-8-11-15-12(17-14)10-5-6-19-13(10)16-11/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,16,17)
InChIKeyROLOIUIFMOPKTR-UHFFFAOYSA-N
XLogP2.93
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244700
[2-(1,1,1-trifluoropropan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 66274655
[2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 103405541
N-methyl-2-(2-methylpropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194454
[2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62250650
[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 82791579
2-(2,2-difluoroethoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 82007213
[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246364
[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246555
4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile
CID 62246202
N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194153
[2-[(4-bromo-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63216895

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 114208585) is [2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is CCC(CC)COCc1nc(NN)c2ccsc2n1.
What is the InChIKey of [2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is ROLOIUIFMOPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-3-9(4-2)7-18-8-11-15-12(17-14)10-5-6-19-13(10)16-11/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of [2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 280.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114208585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).