methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate

C14H17N3O3 — CID 60660188

IUPACmethyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1cc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C14H17N3O3/c1-10-4-5-17-12(6-10)15-11(7-13(17)18)8-16(2)9-14(19)20-3/h4-7H,8-9H2,1-3H3
InChIKeyNYEUNICDGSRKQN-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.61
Rot. Bonds4

About methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate

methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate (PubChem CID 60660188) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate
PubChem CID60660188
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(C)Cc1cc(=O)n2ccc(C)cc2n1
InChIInChI=1S/C14H17N3O3/c1-10-4-5-17-12(6-10)15-11(7-13(17)18)8-16(2)9-14(19)20-3/h4-7H,8-9H2,1-3H3
InChIKeyNYEUNICDGSRKQN-UHFFFAOYSA-N
XLogP0.61
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate (CID 60660188) is methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate is COC(=O)CN(C)Cc1cc(=O)n2ccc(C)cc2n1.
What is the InChIKey of methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate?
The InChIKey is NYEUNICDGSRKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-4-5-17-12(6-10)15-11(7-13(17)18)8-16(2)9-14(19)20-3/h4-7H,8-9H2,1-3H3.
What are the key properties of methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate?
methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate has a molecular weight of 275.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetate is sourced from PubChem (CID 60660188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).