3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C14H16N4O3 — CID 21178538

IUPAC3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(/C=N/O)c(N3CCOCC3)nc12
InChIInChI=1S/C14H16N4O3/c1-10-3-2-4-18-12(10)16-13(11(9-15-20)14(18)19)17-5-7-21-8-6-17/h2-4,9,20H,5-8H2,1H3/b15-9+
InChIKeyBCQHNFNZJNRUFZ-OQLLNIDSSA-N
MW288.31 g/mol
LogP0.65
Rot. Bonds2

About 3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 21178538) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID21178538
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(/C=N/O)c(N3CCOCC3)nc12
InChIInChI=1S/C14H16N4O3/c1-10-3-2-4-18-12(10)16-13(11(9-15-20)14(18)19)17-5-7-21-8-6-17/h2-4,9,20H,5-8H2,1H3/b15-9+
InChIKeyBCQHNFNZJNRUFZ-OQLLNIDSSA-N
XLogP0.65
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 21178538) is 3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(/C=N/O)c(N3CCOCC3)nc12.
What is the InChIKey of 3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BCQHNFNZJNRUFZ-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-3-2-4-18-12(10)16-13(11(9-15-20)14(18)19)17-5-7-21-8-6-17/h2-4,9,20H,5-8H2,1H3/b15-9+.
What are the key properties of 3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 288.31 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hydroxyiminomethyl]-9-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 21178538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).