1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one

C12H12N6OS — CID 114217439

IUPAC1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one
SMILESCc1ccn(Cc2nc(NN)c3ccsc3n2)c(=O)n1
InChIInChI=1S/C12H12N6OS/c1-7-2-4-18(12(19)14-7)6-9-15-10(17-13)8-3-5-20-11(8)16-9/h2-5H,6,13H2,1H3,(H,15,16,17)
InChIKeyRAZOSPLKPAIDHU-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.89
Rot. Bonds3

About 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one

1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one (PubChem CID 114217439) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one
PubChem CID114217439
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one
SMILESCc1ccn(Cc2nc(NN)c3ccsc3n2)c(=O)n1
InChIInChI=1S/C12H12N6OS/c1-7-2-4-18(12(19)14-7)6-9-15-10(17-13)8-3-5-20-11(8)16-9/h2-5H,6,13H2,1H3,(H,15,16,17)
InChIKeyRAZOSPLKPAIDHU-UHFFFAOYSA-N
XLogP0.89
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one?
The IUPAC name of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one (CID 114217439) is 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one?
The canonical SMILES for 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one is Cc1ccn(Cc2nc(NN)c3ccsc3n2)c(=O)n1.
What is the InChIKey of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one?
The InChIKey is RAZOSPLKPAIDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c1-7-2-4-18(12(19)14-7)6-9-15-10(17-13)8-3-5-20-11(8)16-9/h2-5H,6,13H2,1H3,(H,15,16,17).
What are the key properties of 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one?
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one has a molecular weight of 288.34 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one is sourced from PubChem (CID 114217439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).