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

C12H18N4S2 — CID 65141241

IUPAC[2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCC(C)SCc1nc(NN)c2cc(C)sc2n1
InChIInChI=1S/C12H18N4S2/c1-4-7(2)17-6-10-14-11(16-13)9-5-8(3)18-12(9)15-10/h5,7H,4,6,13H2,1-3H3,(H,14,15,16)
InChIKeyWGUNGFQPDCLCHL-UHFFFAOYSA-N
MW282.44 g/mol
LogP3.32
Rot. Bonds5

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

[2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 65141241) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is [2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID65141241
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC Name[2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCC(C)SCc1nc(NN)c2cc(C)sc2n1
InChIInChI=1S/C12H18N4S2/c1-4-7(2)17-6-10-14-11(16-13)9-5-8(3)18-12(9)15-10/h5,7H,4,6,13H2,1-3H3,(H,14,15,16)
InChIKeyWGUNGFQPDCLCHL-UHFFFAOYSA-N
XLogP3.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 53.32
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

[6-methyl-2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79964166
[6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63618225
6-methyl-2-(2-methylpropylsulfanylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65137018
[2-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63619091
[6-ethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63615328
4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334135
4-butan-2-ylsulfanyl-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103322872
6-ethyl-N-methyl-2-(propan-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 65131807
2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 50947008
[2-(butan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65141294
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476
6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325883

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 65141241) is [2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine is CCC(C)SCc1nc(NN)c2cc(C)sc2n1.
What is the InChIKey of [2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is WGUNGFQPDCLCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-4-7(2)17-6-10-14-11(16-13)9-5-8(3)18-12(9)15-10/h5,7H,4,6,13H2,1-3H3,(H,14,15,16).
What are the key properties of [2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 282.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylsulfanylmethyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 65141241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).