3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one

C13H16N4O2 — CID 3392007

IUPAC3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2c(C)cccn2c(=O)c1/C=N/CCO
InChIInChI=1S/C13H16N4O2/c1-9-4-3-6-17-12(9)16-11(14-2)10(13(17)19)8-15-5-7-18/h3-4,6,8,14,18H,5,7H2,1-2H3/b15-8+
InChIKeyJMSRQDTVHLNZPA-OVCLIPMQSA-N
MW260.30 g/mol
LogP0.46
Rot. Bonds4

About 3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one

3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 3392007) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
PubChem CID3392007
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one
SMILESCNc1nc2c(C)cccn2c(=O)c1/C=N/CCO
InChIInChI=1S/C13H16N4O2/c1-9-4-3-6-17-12(9)16-11(14-2)10(13(17)19)8-15-5-7-18/h3-4,6,8,14,18H,5,7H2,1-2H3/b15-8+
InChIKeyJMSRQDTVHLNZPA-OVCLIPMQSA-N
XLogP0.46
TPSA78.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one (CID 3392007) is 3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one is CNc1nc2c(C)cccn2c(=O)c1/C=N/CCO.
What is the InChIKey of 3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JMSRQDTVHLNZPA-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-4-3-6-17-12(9)16-11(14-2)10(13(17)19)8-15-5-7-18/h3-4,6,8,14,18H,5,7H2,1-2H3/b15-8+.
What are the key properties of 3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one?
3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 260.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyliminomethyl)-9-methyl-2-(methylamino)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3392007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).