4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine

C10H20N3O+ — CID 59325846

IUPAC4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine
SMILESCN1CCC[N+](C)=C1N1CCOCC1
InChIInChI=1S/C10H20N3O/c1-11-4-3-5-12(2)10(11)13-6-8-14-9-7-13/h3-9H2,1-2H3/q+1
InChIKeyXHHOLWJWHHKCJJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP-0.35
Rot. Bonds

About 4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine

4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine (PubChem CID 59325846) has the molecular formula C10H20N3O+ and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine.

Molecular Properties

Compound Name4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine
PubChem CID59325846
Molecular FormulaC10H20N3O+
Molecular Weight198.29 g/mol
Exact Mass198.16
IUPAC Name4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine
SMILESCN1CCC[N+](C)=C1N1CCOCC1
InChIInChI=1S/C10H20N3O/c1-11-4-3-5-12(2)10(11)13-6-8-14-9-7-13/h3-9H2,1-2H3/q+1
InChIKeyXHHOLWJWHHKCJJ-UHFFFAOYSA-N
XLogP-0.35
TPSA18.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 5-0.35
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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Related Compounds

4-(2,6-dimethoxy-3-methyl-2H-1,3,5-triazin-4-yl)morpholine
CID 90931072
1-(2,3,4,6,7,8-Hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane
CID 139239324
Methanimine, 1-(4-morpholino)-N-propyl
CID 523955
N-(3-morpholinopropyl)-N'-ethylcarbodiimide
CID 20619110
9-(2-Methoxyethyl)-1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ium
CID 20688130
4-(1,3-Dimethyl-4,5-dihydroimidazol-1-ium-2-yl)morpholine
CID 59325848
1,3-Bis(2-methoxyethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane
CID 59325852
N',2,6-trimethylmorpholine-4-carboximidamide
CID 62358592
4-(1,3-Dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium
CID 67382888
(4-Methoxy-1,3-dimethyl-1,3-diazinan-2-ylidene)-dimethylazanium
CID 68420238
[1-(2-Hydroxyethyl)-3-methyl-1,3-diazinan-2-ylidene]-dimethylazanium
CID 68421860
1,3-dimethyl-N-(2-propoxyethyl)-1,3-diazinan-2-imine
CID 89589389

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine?
The IUPAC name of 4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine (CID 59325846) is 4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine.
What is the SMILES notation for 4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine?
The canonical SMILES for 4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine is CN1CCC[N+](C)=C1N1CCOCC1.
What is the InChIKey of 4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine?
The InChIKey is XHHOLWJWHHKCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N3O/c1-11-4-3-5-12(2)10(11)13-6-8-14-9-7-13/h3-9H2,1-2H3/q+1.
What are the key properties of 4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine?
4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine has a molecular weight of 198.29 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine is sourced from PubChem (CID 59325846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).