5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine

C12H16N4O2 — CID 3234459

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ncncc1-c1c(C)noc1C
InChIInChI=1S/C12H16N4O2/c1-8-11(9(2)18-16-8)10-6-13-7-15-12(10)14-4-5-17-3/h6-7H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyFRGZXVXFYWQGJD-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.81
Rot. Bonds5

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 3234459) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID3234459
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ncncc1-c1c(C)noc1C
InChIInChI=1S/C12H16N4O2/c1-8-11(9(2)18-16-8)10-6-13-7-15-12(10)14-4-5-17-3/h6-7H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyFRGZXVXFYWQGJD-UHFFFAOYSA-N
XLogP1.81
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)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 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine (CID 3234459) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1ncncc1-c1c(C)noc1C.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is FRGZXVXFYWQGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-11(9(2)18-16-8)10-6-13-7-15-12(10)14-4-5-17-3/h6-7H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).