2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one

C15H12N4O2 — CID 135449261

IUPAC2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(/C=N/O)c(Nc2ccccc2)nc2ccccn12
InChIInChI=1S/C15H12N4O2/c20-15-12(10-16-21)14(17-11-6-2-1-3-7-11)18-13-8-4-5-9-19(13)15/h1-10,17,21H/b16-10+
InChIKeyKUZZDKUAFVUVPC-MHWRWJLKSA-N
MW280.29 g/mol
LogP2.25
Rot. Bonds3

About 2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one

2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135449261) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID135449261
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(/C=N/O)c(Nc2ccccc2)nc2ccccn12
InChIInChI=1S/C15H12N4O2/c20-15-12(10-16-21)14(17-11-6-2-1-3-7-11)18-13-8-4-5-9-19(13)15/h1-10,17,21H/b16-10+
InChIKeyKUZZDKUAFVUVPC-MHWRWJLKSA-N
XLogP2.25
TPSA78.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one (CID 135449261) is 2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one is O=c1c(/C=N/O)c(Nc2ccccc2)nc2ccccn12.
What is the InChIKey of 2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KUZZDKUAFVUVPC-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15-12(10-16-21)14(17-11-6-2-1-3-7-11)18-13-8-4-5-9-19(13)15/h1-10,17,21H/b16-10+.
What are the key properties of 2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one?
2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 280.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135449261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).