methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate

C13H19N3O2 — CID 56877631

IUPACmethyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate
SMILESCOC(=O)CCNc1nc(C)cc(C2CCC2)n1
InChIInChI=1S/C13H19N3O2/c1-9-8-11(10-4-3-5-10)16-13(15-9)14-7-6-12(17)18-2/h8,10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyFKMPFEOEQHTBTE-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds5

About methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate

methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate (PubChem CID 56877631) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate
PubChem CID56877631
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate
SMILESCOC(=O)CCNc1nc(C)cc(C2CCC2)n1
InChIInChI=1S/C13H19N3O2/c1-9-8-11(10-4-3-5-10)16-13(15-9)14-7-6-12(17)18-2/h8,10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyFKMPFEOEQHTBTE-UHFFFAOYSA-N
XLogP2.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate 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 methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate (CID 56877631) is methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate is COC(=O)CCNc1nc(C)cc(C2CCC2)n1.
What is the InChIKey of methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate?
The InChIKey is FKMPFEOEQHTBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-8-11(10-4-3-5-10)16-13(15-9)14-7-6-12(17)18-2/h8,10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate?
methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate has a molecular weight of 249.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]propanoate is sourced from PubChem (CID 56877631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).