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

C12H15N3O2 — CID 175899747

IUPAC3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CCO)Cc1cnc2ccccn2c1=O
InChIInChI=1S/C12H15N3O2/c1-14(6-7-16)9-10-8-13-11-4-2-3-5-15(11)12(10)17/h2-5,8,16H,6-7,9H2,1H3
InChIKeyCDZXVWLRZMKAGH-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.12
Rot. Bonds4

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

3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 175899747) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID175899747
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCN(CCO)Cc1cnc2ccccn2c1=O
InChIInChI=1S/C12H15N3O2/c1-14(6-7-16)9-10-8-13-11-4-2-3-5-15(11)12(10)17/h2-5,8,16H,6-7,9H2,1H3
InChIKeyCDZXVWLRZMKAGH-UHFFFAOYSA-N
XLogP0.12
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 175899747) is 3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CN(CCO)Cc1cnc2ccccn2c1=O.
What is the InChIKey of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CDZXVWLRZMKAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14(6-7-16)9-10-8-13-11-4-2-3-5-15(11)12(10)17/h2-5,8,16H,6-7,9H2,1H3.
What are the key properties of 3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 233.27 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(methyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 175899747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).