9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H21N3O3 — CID 118760940

IUPAC9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN(C/C=C/c2ccccc2)CCO)nc2c(O)cccn12
InChIInChI=1S/C20H21N3O3/c24-13-12-22(10-4-8-16-6-2-1-3-7-16)15-17-14-19(26)23-11-5-9-18(25)20(23)21-17/h1-9,11,14,24-25H,10,12-13,15H2/b8-4+
InChIKeyOPSCRLFMABFKHL-XBXARRHUSA-N
MW351.41 g/mol
LogP1.91
Rot. Bonds7

About 9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 118760940) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID118760940
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN(C/C=C/c2ccccc2)CCO)nc2c(O)cccn12
InChIInChI=1S/C20H21N3O3/c24-13-12-22(10-4-8-16-6-2-1-3-7-16)15-17-14-19(26)23-11-5-9-18(25)20(23)21-17/h1-9,11,14,24-25H,10,12-13,15H2/b8-4+
InChIKeyOPSCRLFMABFKHL-XBXARRHUSA-N
XLogP1.91
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid
CID 115031785
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79270180
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216
2-[(3,5-dichloro-4-pyridinyl)methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 46983801
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 60510332
2-[[(E)-3-phenylprop-2-enyl]-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]ethanol
CID 46999098
9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92804654
2-[methyl-[(E)-3-phenylprop-2-enyl]amino]ethanol
CID 14988338
9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054753
7-bromo-2-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 115631705
2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62015199

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 118760940) is 9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN(C/C=C/c2ccccc2)CCO)nc2c(O)cccn12.
What is the InChIKey of 9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OPSCRLFMABFKHL-XBXARRHUSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-13-12-22(10-4-8-16-6-2-1-3-7-16)15-17-14-19(26)23-11-5-9-18(25)20(23)21-17/h1-9,11,14,24-25H,10,12-13,15H2/b8-4+.
What are the key properties of 9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 351.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-[[2-hydroxyethyl-[(E)-3-phenylprop-2-enyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118760940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).