methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate

C10H15N3O2 — CID 171618148

IUPACmethyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate
SMILESCOC(=O)C(C)C(N)Cc1ncccn1
InChIInChI=1S/C10H15N3O2/c1-7(10(14)15-2)8(11)6-9-12-4-3-5-13-9/h3-5,7-8H,6,11H2,1-2H3
InChIKeyIYVVHWCYSCGVJQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.16
Rot. Bonds4

About methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate

methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate (PubChem CID 171618148) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate
PubChem CID171618148
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate
SMILESCOC(=O)C(C)C(N)Cc1ncccn1
InChIInChI=1S/C10H15N3O2/c1-7(10(14)15-2)8(11)6-9-12-4-3-5-13-9/h3-5,7-8H,6,11H2,1-2H3
InChIKeyIYVVHWCYSCGVJQ-UHFFFAOYSA-N
XLogP0.16
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate 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-amino-2-methyl-4-pyrimidin-2-ylbutanoate?
The IUPAC name of methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate (CID 171618148) is methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate.
What is the SMILES notation for methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate?
The canonical SMILES for methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate is COC(=O)C(C)C(N)Cc1ncccn1.
What is the InChIKey of methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate?
The InChIKey is IYVVHWCYSCGVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(10(14)15-2)8(11)6-9-12-4-3-5-13-9/h3-5,7-8H,6,11H2,1-2H3.
What are the key properties of methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate?
methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate has a molecular weight of 209.25 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-methyl-4-pyrimidin-2-ylbutanoate is sourced from PubChem (CID 171618148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).