9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C11H16N2O3 — CID 72714002

IUPAC9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCO)CCCC2O
InChIInChI=1S/C11H16N2O3/c1-7-8(4-6-14)11(16)13-5-2-3-9(15)10(13)12-7/h9,14-15H,2-6H2,1H3
InChIKeyVHNZWTWBZYUXFA-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.09
Rot. Bonds2

About 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 72714002) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID72714002
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCO)CCCC2O
InChIInChI=1S/C11H16N2O3/c1-7-8(4-6-14)11(16)13-5-2-3-9(15)10(13)12-7/h9,14-15H,2-6H2,1H3
InChIKeyVHNZWTWBZYUXFA-UHFFFAOYSA-N
XLogP-0.09
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 72714002) is 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1CCO)CCCC2O.
What is the InChIKey of 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VHNZWTWBZYUXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-8(4-6-14)11(16)13-5-2-3-9(15)10(13)12-7/h9,14-15H,2-6H2,1H3.
What are the key properties of 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 224.26 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-(2-hydroxyethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 72714002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).