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

C13H20N4O3S — CID 103405541

IUPAC[2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCOCCOCCCOCc1nc(NN)c2ccsc2n1
InChIInChI=1S/C13H20N4O3S/c1-18-6-7-19-4-2-5-20-9-11-15-12(17-14)10-3-8-21-13(10)16-11/h3,8H,2,4-7,9,14H2,1H3,(H,15,16,17)
InChIKeyUVPTWRZFHKDTAF-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.55
Rot. Bonds10

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

[2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 103405541) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is [2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID103405541
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name[2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCOCCOCCCOCc1nc(NN)c2ccsc2n1
InChIInChI=1S/C13H20N4O3S/c1-18-6-7-19-4-2-5-20-9-11-15-12(17-14)10-3-8-21-13(10)16-11/h3,8H,2,4-7,9,14H2,1H3,(H,15,16,17)
InChIKeyUVPTWRZFHKDTAF-UHFFFAOYSA-N
XLogP1.55
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(2-butoxyethoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244700
[2-(4,4,4-trifluorobutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 82791579
[2-(2-ethylbutoxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114208585
N-methyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194153
N-ethyl-2-[2-(2-methoxyethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 102928811
[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
[2-(1,1,1-trifluoropropan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 66274655
3-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 63285734
2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193587
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
N-methyl-2-(3,3,3-trifluoropropoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82956781

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 103405541) is [2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is COCCOCCCOCc1nc(NN)c2ccsc2n1.
What is the InChIKey of [2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is UVPTWRZFHKDTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-18-6-7-19-4-2-5-20-9-11-15-12(17-14)10-3-8-21-13(10)16-11/h3,8H,2,4-7,9,14H2,1H3,(H,15,16,17).
What are the key properties of [2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 312.39 g/mol, XLogP of 1.55, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methoxyethoxy)propoxymethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103405541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).