ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate

C13H18N2O3 — CID 600957

IUPACethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate
SMILESCCOC(=O)Cc1cnc2n(c1=O)CC(C)CC2
InChIInChI=1S/C13H18N2O3/c1-3-18-12(16)6-10-7-14-11-5-4-9(2)8-15(11)13(10)17/h7,9H,3-6,8H2,1-2H3
InChIKeyDQDHORMHBVVMMG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.93
Rot. Bonds3

About ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate

ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate (PubChem CID 600957) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate
PubChem CID600957
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate
SMILESCCOC(=O)Cc1cnc2n(c1=O)CC(C)CC2
InChIInChI=1S/C13H18N2O3/c1-3-18-12(16)6-10-7-14-11-5-4-9(2)8-15(11)13(10)17/h7,9H,3-6,8H2,1-2H3
InChIKeyDQDHORMHBVVMMG-UHFFFAOYSA-N
XLogP0.93
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate?
The IUPAC name of ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate (CID 600957) is ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate is CCOC(=O)Cc1cnc2n(c1=O)CC(C)CC2.
What is the InChIKey of ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate?
The InChIKey is DQDHORMHBVVMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-18-12(16)6-10-7-14-11-5-4-9(2)8-15(11)13(10)17/h7,9H,3-6,8H2,1-2H3.
What are the key properties of ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate?
ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate has a molecular weight of 250.30 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetate is sourced from PubChem (CID 600957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).