methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate

C10H15N3O2 — CID 55151659

IUPACmethyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(C(C)C)ncn1
InChIInChI=1S/C10H15N3O2/c1-7(2)8-4-9(13-6-12-8)11-5-10(14)15-3/h4,6-7H,5H2,1-3H3,(H,11,12,13)
InChIKeySTZNENAVZCKROM-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.18
Rot. Bonds4

About methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate

methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate (PubChem CID 55151659) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate
PubChem CID55151659
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(C(C)C)ncn1
InChIInChI=1S/C10H15N3O2/c1-7(2)8-4-9(13-6-12-8)11-5-10(14)15-3/h4,6-7H,5H2,1-3H3,(H,11,12,13)
InChIKeySTZNENAVZCKROM-UHFFFAOYSA-N
XLogP1.18
TPSA64.11 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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate 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 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate (CID 55151659) is methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate is COC(=O)CNc1cc(C(C)C)ncn1.
What is the InChIKey of methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate?
The InChIKey is STZNENAVZCKROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)8-4-9(13-6-12-8)11-5-10(14)15-3/h4,6-7H,5H2,1-3H3,(H,11,12,13).
What are the key properties of methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate?
methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate has a molecular weight of 209.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 55151659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).