methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate

C13H18N4O2 — CID 62012704

IUPACmethyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)Cc1cn2cccnc2n1
InChIInChI=1S/C13H18N4O2/c1-16(7-3-5-12(18)19-2)9-11-10-17-8-4-6-14-13(17)15-11/h4,6,8,10H,3,5,7,9H2,1-2H3
InChIKeyIZPKWMKAOPNDGU-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.11
Rot. Bonds6

About methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate

methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate (PubChem CID 62012704) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate
PubChem CID62012704
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Namemethyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate
SMILESCOC(=O)CCCN(C)Cc1cn2cccnc2n1
InChIInChI=1S/C13H18N4O2/c1-16(7-3-5-12(18)19-2)9-11-10-17-8-4-6-14-13(17)15-11/h4,6,8,10H,3,5,7,9H2,1-2H3
InChIKeyIZPKWMKAOPNDGU-UHFFFAOYSA-N
XLogP1.11
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate 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 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate (CID 62012704) is methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate is COC(=O)CCCN(C)Cc1cn2cccnc2n1.
What is the InChIKey of methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate?
The InChIKey is IZPKWMKAOPNDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16(7-3-5-12(18)19-2)9-11-10-17-8-4-6-14-13(17)15-11/h4,6,8,10H,3,5,7,9H2,1-2H3.
What are the key properties of methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate?
methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate has a molecular weight of 262.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[imidazo[1,2-a]pyrimidin-2-ylmethyl(methyl)amino]butanoate is sourced from PubChem (CID 62012704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).