6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine

C8H10N4O — CID 118972857

IUPAC6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine
SMILESC/C=N/O/C=C/c1cc(N)ncn1
InChIInChI=1S/C8H10N4O/c1-2-12-13-4-3-7-5-8(9)11-6-10-7/h2-6H,1H3,(H2,9,10,11)/b4-3+,12-2+
InChIKeyDIFPWUNODNOEFB-MFSBMSOVSA-N
MW178.19 g/mol
LogP1.05
Rot. Bonds3

About 6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine

6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine (PubChem CID 118972857) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine
PubChem CID118972857
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine
SMILESC/C=N/O/C=C/c1cc(N)ncn1
InChIInChI=1S/C8H10N4O/c1-2-12-13-4-3-7-5-8(9)11-6-10-7/h2-6H,1H3,(H2,9,10,11)/b4-3+,12-2+
InChIKeyDIFPWUNODNOEFB-MFSBMSOVSA-N
XLogP1.05
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine?
The IUPAC name of 6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine (CID 118972857) is 6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine is C/C=N/O/C=C/c1cc(N)ncn1.
What is the InChIKey of 6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine?
The InChIKey is DIFPWUNODNOEFB-MFSBMSOVSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-12-13-4-3-7-5-8(9)11-6-10-7/h2-6H,1H3,(H2,9,10,11)/b4-3+,12-2+.
What are the key properties of 6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine?
6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine has a molecular weight of 178.19 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[(E)-ethylideneamino]oxyethenyl]pyrimidin-4-amine is sourced from PubChem (CID 118972857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).