[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine

C14H22N4OS — CID 103336025

IUPAC[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCCc1cc2c(OCCCC(C)C)nc(NN)nc2s1
InChIInChI=1S/C14H22N4OS/c1-4-10-8-11-12(19-7-5-6-9(2)3)16-14(18-15)17-13(11)20-10/h8-9H,4-7,15H2,1-3H3,(H,16,17,18)
InChIKeyZCJOICGJEQOPRR-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.35
Rot. Bonds7

About [6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine

[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103336025) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is [6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103336025
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCCc1cc2c(OCCCC(C)C)nc(NN)nc2s1
InChIInChI=1S/C14H22N4OS/c1-4-10-8-11-12(19-7-5-6-9(2)3)16-14(18-15)17-13(11)20-10/h8-9H,4-7,15H2,1-3H3,(H,16,17,18)
InChIKeyZCJOICGJEQOPRR-UHFFFAOYSA-N
XLogP3.35
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[6-ethyl-4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336078
2-chloro-6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidine
CID 103319793
(4-butan-2-yloxy-6-ethylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336126
[6-ethyl-4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336021
4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332122
6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333323
[6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 106598874
6-ethyl-2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333041
[6-ethyl-4-(3-iodophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336225
6-ethyl-N-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332286
[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336016
2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103335521

Frequently Asked Questions

What is the IUPAC name of [6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103336025) is [6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is CCc1cc2c(OCCCC(C)C)nc(NN)nc2s1.
What is the InChIKey of [6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is ZCJOICGJEQOPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-10-8-11-12(19-7-5-6-9(2)3)16-14(18-15)17-13(11)20-10/h8-9H,4-7,15H2,1-3H3,(H,16,17,18).
What are the key properties of [6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine?
[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 294.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103336025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).