4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine

C12H17N3O2 — CID 6620727

IUPAC4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine
SMILESC=CCOc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17N3O2/c1-3-6-17-11-9-10(2)13-12(14-11)15-4-7-16-8-5-15/h3,9H,1,4-8H2,2H3
InChIKeyYPFGZAGLEBZRJE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.19
Rot. Bonds4

About 4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine

4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine (PubChem CID 6620727) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine
PubChem CID6620727
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine
SMILESC=CCOc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17N3O2/c1-3-6-17-11-9-10(2)13-12(14-11)15-4-7-16-8-5-15/h3,9H,1,4-8H2,2H3
InChIKeyYPFGZAGLEBZRJE-UHFFFAOYSA-N
XLogP1.19
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-methyl-6-prop-2-enoxypyrimidin-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

Related Compounds

4-(2-Methoxyethoxy)-6-methylpyrimidin-2-amine
CID 3777900
2,4-Dimethoxy-6-methylpyrimidine
CID 269820
4-(2,2-Dimethylpropoxy)-6-methylpyrimidin-2-amine
CID 57063267
4-({[6-Methyl-2-(methylthio)pyrimidin-4-yl]oxy}acetyl)morpholine
CID 3243664
2-Isopropylamino-4-(2-chloroallyloxy)-6-methyl-pyrimidine
CID 76330728
2,4-Diethoxy-6-methylpyrimidine
CID 260112
2-(2-Amino-6-methylpyrimidin-4-yl)oxyacetonitrile
CID 3158769
2-(4-Cyclohexyl-piperazin-1-yl)-4-ethoxy-6-methyl-pyrimidine
CID 656154
2-Pyrimidinamine, 4-methyl-N-(1-methylethyl)-6-(2-methylpropoxy)-
CID 56843735
4-[4-Methyl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]morpholine
CID 697263
Ethanamine, 2-((2,6-dimethyl-4-pyrimidinyl)oxy)-N,N-dimethyl-, hydrochloride (1:1)
CID 51293
Ethanamine, N,N-diethyl-2-((2,6-dimethyl-4-pyrimidinyl)oxy)-, monohydrochloride
CID 51295

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine (CID 6620727) is 4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine is C=CCOc1cc(C)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine?
The InChIKey is YPFGZAGLEBZRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-6-17-11-9-10(2)13-12(14-11)15-4-7-16-8-5-15/h3,9H,1,4-8H2,2H3.
What are the key properties of 4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine?
4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine has a molecular weight of 235.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-6-prop-2-enoxypyrimidin-2-yl)morpholine is sourced from PubChem (CID 6620727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).