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

C11H13N3O2 — CID 175899579

IUPAC3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CNCCO)cnc2ccccn12
InChIInChI=1S/C11H13N3O2/c15-6-4-12-7-9-8-13-10-3-1-2-5-14(10)11(9)16/h1-3,5,8,12,15H,4,6-7H2
InChIKeySNBQZPRYVIJQTK-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.22
Rot. Bonds4

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

3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 175899579) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID175899579
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(CNCCO)cnc2ccccn12
InChIInChI=1S/C11H13N3O2/c15-6-4-12-7-9-8-13-10-3-1-2-5-14(10)11(9)16/h1-3,5,8,12,15H,4,6-7H2
InChIKeySNBQZPRYVIJQTK-UHFFFAOYSA-N
XLogP-0.22
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]acetamide
CID 44782669
3-benzylpyrido[1,2-a]pyrimidin-4-one
CID 142684931
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
4-oxo-4-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]butanoic acid
CID 44782792
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
5-[(2-hydroxyethylamino)methyl]-N-[3-[3-[3-[(2-hydroxyethylamino)methyl]-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]-2-methylphenyl]pyridine-2-carboxamide
CID 166515586
1-[(4-chlorophenyl)methyl]-3-(4-oxopyrido[1,2-a]pyrimidin-3-yl)urea
CID 71462105
imidazo[1,2-a]pyridin-3-ylmethanol;hydrochloride
CID 22938849
3-[6-(methyldisulfanyl)hexyl]pyrido[1,2-a]pyrimidin-4-one
CID 143696586
4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16622345
1-(3,5-dichlorophenyl)-3-[4-(4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]urea
CID 46183806
3-(4-aminophenyl)pyrido[1,2-a]pyrimidin-4-one
CID 71741640

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 175899579) is 3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1c(CNCCO)cnc2ccccn12.
What is the InChIKey of 3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SNBQZPRYVIJQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-6-4-12-7-9-8-13-10-3-1-2-5-14(10)11(9)16/h1-3,5,8,12,15H,4,6-7H2.
What are the key properties of 3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 219.24 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 175899579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).