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

C12H18N2O3 — CID 70003854

IUPAC3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCOC1CCCn2c1nc(C)c(CCO)c2=O
InChIInChI=1S/C12H18N2O3/c1-8-9(5-7-15)12(16)14-6-3-4-10(17-2)11(14)13-8/h10,15H,3-7H2,1-2H3
InChIKeyMPNVORLURXMNCQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.57
Rot. Bonds3

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

3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 70003854) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID70003854
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCOC1CCCn2c1nc(C)c(CCO)c2=O
InChIInChI=1S/C12H18N2O3/c1-8-9(5-7-15)12(16)14-6-3-4-10(17-2)11(14)13-8/h10,15H,3-7H2,1-2H3
InChIKeyMPNVORLURXMNCQ-UHFFFAOYSA-N
XLogP0.57
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 70003854) is 3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is COC1CCCn2c1nc(C)c(CCO)c2=O.
What is the InChIKey of 3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MPNVORLURXMNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-9(5-7-15)12(16)14-6-3-4-10(17-2)11(14)13-8/h10,15H,3-7H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 238.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-9-methoxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70003854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).