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

C18H18N4O2 — CID 2311595

IUPAC2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(/C=N/c3ccccc3)c(NCCO)nc12
InChIInChI=1S/C18H18N4O2/c1-13-6-5-10-22-17(13)21-16(19-9-11-23)15(18(22)24)12-20-14-7-3-2-4-8-14/h2-8,10,12,19,23H,9,11H2,1H3/b20-12+
InChIKeyTXFWUHPJUNROKH-UDWIEESQSA-N
MW322.37 g/mol
LogP2.16
Rot. Bonds5

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

2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 2311595) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID2311595
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(/C=N/c3ccccc3)c(NCCO)nc12
InChIInChI=1S/C18H18N4O2/c1-13-6-5-10-22-17(13)21-16(19-9-11-23)15(18(22)24)12-20-14-7-3-2-4-8-14/h2-8,10,12,19,23H,9,11H2,1H3/b20-12+
InChIKeyTXFWUHPJUNROKH-UDWIEESQSA-N
XLogP2.16
TPSA78.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.16
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 2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 2311595) is 2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(NCCO)nc12.
What is the InChIKey of 2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is TXFWUHPJUNROKH-UDWIEESQSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-6-5-10-22-17(13)21-16(19-9-11-23)15(18(22)24)12-20-14-7-3-2-4-8-14/h2-8,10,12,19,23H,9,11H2,1H3/b20-12+.
What are the key properties of 2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 322.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-9-methyl-3-(phenyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2311595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).