6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine

C13H20N4O — CID 114694686

IUPAC6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCC2=CCNCC2)c1C
InChIInChI=1S/C13H20N4O/c1-3-18-13-10(2)12(16-9-17-13)15-8-11-4-6-14-7-5-11/h4,9,14H,3,5-8H2,1-2H3,(H,15,16,17)
InChIKeyOQLUHULMUABCEC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds5

About 6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine

6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 114694686) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID114694686
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCCOc1ncnc(NCC2=CCNCC2)c1C
InChIInChI=1S/C13H20N4O/c1-3-18-13-10(2)12(16-9-17-13)15-8-11-4-6-14-7-5-11/h4,9,14H,3,5-8H2,1-2H3,(H,15,16,17)
InChIKeyOQLUHULMUABCEC-UHFFFAOYSA-N
XLogP1.52
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine 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 6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine (CID 114694686) is 6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine is CCOc1ncnc(NCC2=CCNCC2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is OQLUHULMUABCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-18-13-10(2)12(16-9-17-13)15-8-11-4-6-14-7-5-11/h4,9,14H,3,5-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine?
6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 114694686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).