[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine

C13H20N4O2S — CID 103336016

IUPAC[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCCCCOCCOc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C13H20N4O2S/c1-3-4-5-18-6-7-19-11-10-8-9(2)20-12(10)16-13(15-11)17-14/h8H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyBTPABOHDCRUGDM-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.48
Rot. Bonds8

About [4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine

[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103336016) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is [4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103336016
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCCCCOCCOc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C13H20N4O2S/c1-3-4-5-18-6-7-19-11-10-8-9(2)20-12(10)16-13(15-11)17-14/h8H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyBTPABOHDCRUGDM-UHFFFAOYSA-N
XLogP2.48
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.48
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

[4-(2-cyclopropylethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 106207865
2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 103336247
4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331315
2-hydrazinyl-6-methyl-N-(3-propoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335525
(6-methyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336044
(4-butoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336122
4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331259
[4-(1-methoxypropan-2-yloxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336311
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333854
N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103332934
[4-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 103336262

Frequently Asked Questions

What is the IUPAC name of [4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103336016) is [4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine is CCCCOCCOc1nc(NN)nc2sc(C)cc12.
What is the InChIKey of [4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is BTPABOHDCRUGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-3-4-5-18-6-7-19-11-10-8-9(2)20-12(10)16-13(15-11)17-14/h8H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of [4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 296.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103336016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).