[2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine

C15H21N5S — CID 80968402

IUPAC[2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(N2CCc3sccc3C2)n1
InChIInChI=1S/C15H21N5S/c1-15(2,3)14-17-12(19-16)8-13(18-14)20-6-4-11-10(9-20)5-7-21-11/h5,7-8H,4,6,9,16H2,1-3H3,(H,17,18,19)
InChIKeyWMFDUBYIBAYBON-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.68
Rot. Bonds2

About [2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine

[2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80968402) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is [2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine
PubChem CID80968402
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name[2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine
SMILESCC(C)(C)c1nc(NN)cc(N2CCc3sccc3C2)n1
InChIInChI=1S/C15H21N5S/c1-15(2,3)14-17-12(19-16)8-13(18-14)20-6-4-11-10(9-20)5-7-21-11/h5,7-8H,4,6,9,16H2,1-3H3,(H,17,18,19)
InChIKeyWMFDUBYIBAYBON-UHFFFAOYSA-N
XLogP2.68
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.68
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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102720959
1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-1,4-diazepan-5-one
CID 80964373
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpyridin-2-amine
CID 80764887
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 80764293
5-[4-(chloromethyl)-6-methyl-2-pyridinyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 113378829
[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazin-2-yl]methanamine
CID 66455969
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80932610
2-tert-butyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133404847
5-[6-(chloromethyl)pyrazin-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 66466630
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60711063
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-4-carboxylate
CID 113220688
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-methylbenzonitrile
CID 114016751

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine (CID 80968402) is [2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine is CC(C)(C)c1nc(NN)cc(N2CCc3sccc3C2)n1.
What is the InChIKey of [2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is WMFDUBYIBAYBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-15(2,3)14-17-12(19-16)8-13(18-14)20-6-4-11-10(9-20)5-7-21-11/h5,7-8H,4,6,9,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine?
[2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 303.44 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80968402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).