methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate

C13H22N4O2 — CID 115264976

IUPACmethyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
SMILESCOC(=O)CCNc1cc(N(C)C(C)(C)C)ncn1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)17(4)11-8-10(15-9-16-11)14-7-6-12(18)19-5/h8-9H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyIOFTYZLCOGTGLV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.69
Rot. Bonds5

About methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate

methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate (PubChem CID 115264976) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
PubChem CID115264976
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
SMILESCOC(=O)CCNc1cc(N(C)C(C)(C)C)ncn1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)17(4)11-8-10(15-9-16-11)14-7-6-12(18)19-5/h8-9H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyIOFTYZLCOGTGLV-UHFFFAOYSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-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-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate?
The IUPAC name of methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate (CID 115264976) is methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate is COC(=O)CCNc1cc(N(C)C(C)(C)C)ncn1.
What is the InChIKey of methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate?
The InChIKey is IOFTYZLCOGTGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)17(4)11-8-10(15-9-16-11)14-7-6-12(18)19-5/h8-9H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate?
methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate has a molecular weight of 266.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 115264976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).