[6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol

C17H19N5OS — CID 44591133

IUPAC[6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol
SMILESCC(C)(C)c1cc2c(N/N=C\c3cccc(CO)n3)ncnc2s1
InChIInChI=1S/C17H19N5OS/c1-17(2,3)14-7-13-15(18-10-19-16(13)24-14)22-20-8-11-5-4-6-12(9-23)21-11/h4-8,10,23H,9H2,1-3H3,(H,18,19,22)/b20-8-
InChIKeyUSHMKWDFOXGLHF-ZBKNUEDVSA-N
MW341.44 g/mol
LogP3.32
Rot. Bonds4

About [6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol

[6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol (PubChem CID 44591133) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is [6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol
PubChem CID44591133
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name[6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol
SMILESCC(C)(C)c1cc2c(N/N=C\c3cccc(CO)n3)ncnc2s1
InChIInChI=1S/C17H19N5OS/c1-17(2,3)14-7-13-15(18-10-19-16(13)24-14)22-20-8-11-5-4-6-12(9-23)21-11/h4-8,10,23H,9H2,1-3H3,(H,18,19,22)/b20-8-
InChIKeyUSHMKWDFOXGLHF-ZBKNUEDVSA-N
XLogP3.32
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol?
The IUPAC name of [6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol (CID 44591133) is [6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol is CC(C)(C)c1cc2c(N/N=C\c3cccc(CO)n3)ncnc2s1.
What is the InChIKey of [6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol?
The InChIKey is USHMKWDFOXGLHF-ZBKNUEDVSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-17(2,3)14-7-13-15(18-10-19-16(13)24-14)22-20-8-11-5-4-6-12(9-23)21-11/h4-8,10,23H,9H2,1-3H3,(H,18,19,22)/b20-8-.
What are the key properties of [6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol?
[6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol has a molecular weight of 341.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(Z)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methanol is sourced from PubChem (CID 44591133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).