methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate

C13H15N3O3 — CID 154932627

IUPACmethyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)Nc1ccc2nccc(=O)n2c1
InChIInChI=1S/C13H15N3O3/c1-13(2,12(18)19-3)15-9-4-5-10-14-7-6-11(17)16(10)8-9/h4-8,15H,1-3H3
InChIKeyXBWGCLXSYFUNFX-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.06
Rot. Bonds3

About methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate

methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate (PubChem CID 154932627) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate
PubChem CID154932627
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate
SMILESCOC(=O)C(C)(C)Nc1ccc2nccc(=O)n2c1
InChIInChI=1S/C13H15N3O3/c1-13(2,12(18)19-3)15-9-4-5-10-14-7-6-11(17)16(10)8-9/h4-8,15H,1-3H3
InChIKeyXBWGCLXSYFUNFX-UHFFFAOYSA-N
XLogP1.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate (CID 154932627) is methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate is COC(=O)C(C)(C)Nc1ccc2nccc(=O)n2c1.
What is the InChIKey of methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate?
The InChIKey is XBWGCLXSYFUNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-13(2,12(18)19-3)15-9-4-5-10-14-7-6-11(17)16(10)8-9/h4-8,15H,1-3H3.
What are the key properties of methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate?
methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate has a molecular weight of 261.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]propanoate is sourced from PubChem (CID 154932627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).