6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one

C6H8N4O — CID 15535315

IUPAC6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one
SMILESC/C=N/Nc1ccnc(=O)[nH]1
InChIInChI=1S/C6H8N4O/c1-2-8-10-5-3-4-7-6(11)9-5/h2-4H,1H3,(H2,7,9,10,11)/b8-2+
InChIKeyVKZYCRIELRTAGN-KRXBUXKQSA-N
MW152.16 g/mol
LogP0.19
Rot. Bonds2

About 6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one

6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one (PubChem CID 15535315) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one
PubChem CID15535315
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one
SMILESC/C=N/Nc1ccnc(=O)[nH]1
InChIInChI=1S/C6H8N4O/c1-2-8-10-5-3-4-7-6(11)9-5/h2-4H,1H3,(H2,7,9,10,11)/b8-2+
InChIKeyVKZYCRIELRTAGN-KRXBUXKQSA-N
XLogP0.19
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one (CID 15535315) is 6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one is C/C=N/Nc1ccnc(=O)[nH]1.
What is the InChIKey of 6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one?
The InChIKey is VKZYCRIELRTAGN-KRXBUXKQSA-N. The full InChI is InChI=1S/C6H8N4O/c1-2-8-10-5-3-4-7-6(11)9-5/h2-4H,1H3,(H2,7,9,10,11)/b8-2+.
What are the key properties of 6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one?
6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one has a molecular weight of 152.16 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-ethylidenehydrazinyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 15535315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).