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

C13H20N4O2S — CID 62244700

IUPAC[2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCCCOCCOCc1nc(NN)c2ccsc2n1
InChIInChI=1S/C13H20N4O2S/c1-2-3-5-18-6-7-19-9-11-15-12(17-14)10-4-8-20-13(10)16-11/h4,8H,2-3,5-7,9,14H2,1H3,(H,15,16,17)
InChIKeyVLAGOGQEXHFBKO-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.31
Rot. Bonds9

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

[2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 62244700) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID62244700
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name[2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCCCOCCOCc1nc(NN)c2ccsc2n1
InChIInChI=1S/C13H20N4O2S/c1-2-3-5-18-6-7-19-9-11-15-12(17-14)10-4-8-20-13(10)16-11/h4,8H,2-3,5-7,9,14H2,1H3,(H,15,16,17)
InChIKeyVLAGOGQEXHFBKO-UHFFFAOYSA-N
XLogP2.31
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 103405541
[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 82791579
N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194153
[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114208585
2-(heptoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62193252
2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193587
4-chloro-2-(octoxymethyl)thieno[2,3-d]pyrimidine
CID 62188659
[2-(oxolan-3-ylmethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246364
[2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62250650
4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile
CID 62246202
[2-(1,1,1-trifluoropropan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 66274655
[2-[(3,4-dichlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246555

Frequently Asked Questions

What is the IUPAC name of [2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 62244700) is [2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is CCCCOCCOCc1nc(NN)c2ccsc2n1.
What is the InChIKey of [2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is VLAGOGQEXHFBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-2-3-5-18-6-7-19-9-11-15-12(17-14)10-4-8-20-13(10)16-11/h4,8H,2-3,5-7,9,14H2,1H3,(H,15,16,17).
What are the key properties of [2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 296.40 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62244700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).