9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium

C11H22N3O+ — CID 20688130

IUPAC9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium
SMILESCOCCN1CCCN2CCC[N+](C)=C21
InChIInChI=1S/C11H22N3O/c1-12-5-3-6-13-7-4-8-14(11(12)13)9-10-15-2/h3-10H2,1-2H3/q+1
InChIKeyICJWTLKXGDDONZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.04
Rot. Bonds3

About 9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium

9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium (PubChem CID 20688130) has the molecular formula C11H22N3O+ and a molecular weight of 212.32 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium.

Molecular Properties

Compound Name9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium
PubChem CID20688130
Molecular FormulaC11H22N3O+
Molecular Weight212.32 g/mol
Exact Mass212.18
IUPAC Name9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium
SMILESCOCCN1CCCN2CCC[N+](C)=C21
InChIInChI=1S/C11H22N3O/c1-12-5-3-6-13-7-4-8-14(11(12)13)9-10-15-2/h3-10H2,1-2H3/q+1
InChIKeyICJWTLKXGDDONZ-UHFFFAOYSA-N
XLogP0.04
TPSA18.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium?
The IUPAC name of 9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium (CID 20688130) is 9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium.
What is the SMILES notation for 9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium?
The canonical SMILES for 9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium is COCCN1CCCN2CCC[N+](C)=C21.
What is the InChIKey of 9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium?
The InChIKey is ICJWTLKXGDDONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N3O/c1-12-5-3-6-13-7-4-8-14(11(12)13)9-10-15-2/h3-10H2,1-2H3/q+1.
What are the key properties of 9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium?
9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium has a molecular weight of 212.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium is sourced from PubChem (CID 20688130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).