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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).