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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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).