ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate

C15H18N2O3 — CID 6622036

IUPACethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
SMILESCCOC(=O)CCc1c(C)nc2ccc(C)cn2c1=O
InChIInChI=1S/C15H18N2O3/c1-4-20-14(18)8-6-12-11(3)16-13-7-5-10(2)9-17(13)15(12)19/h5,7,9H,4,6,8H2,1-3H3
InChIKeyAEYCQQBEOHBGTB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.81
Rot. Bonds4

About ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate

ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate (PubChem CID 6622036) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
PubChem CID6622036
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
SMILESCCOC(=O)CCc1c(C)nc2ccc(C)cn2c1=O
InChIInChI=1S/C15H18N2O3/c1-4-20-14(18)8-6-12-11(3)16-13-7-5-10(2)9-17(13)15(12)19/h5,7,9H,4,6,8H2,1-3H3
InChIKeyAEYCQQBEOHBGTB-UHFFFAOYSA-N
XLogP1.81
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527404
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 154321070
ethyl 3-[5-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 845863
2-amino-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 83832171
ethyl 2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 808620
ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 102144487
2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 82091833
ethyl 2-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808619
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 150974917
3-ethyl-2-methyl-7-nitropyrido[1,2-a]pyrimidin-4-one
CID 20568861
ethyl 4-[[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]amino]-4-oxobutanoate
CID 42881647
ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate?
The IUPAC name of ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate (CID 6622036) is ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate?
The canonical SMILES for ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate is CCOC(=O)CCc1c(C)nc2ccc(C)cn2c1=O.
What is the InChIKey of ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate?
The InChIKey is AEYCQQBEOHBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-20-14(18)8-6-12-11(3)16-13-7-5-10(2)9-17(13)15(12)19/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate?
ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate has a molecular weight of 274.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate is sourced from PubChem (CID 6622036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).