3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one

C16H20N4O3 — CID 136569526

IUPAC3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCC1CN(C(=O)Cn2cnc3ncccc3c2=O)CC(C)(C)O1
InChIInChI=1S/C16H20N4O3/c1-11-7-19(9-16(2,3)23-11)13(21)8-20-10-18-14-12(15(20)22)5-4-6-17-14/h4-6,10-11H,7-9H2,1-3H3
InChIKeyMYOGDBZZRUIGQY-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.82
Rot. Bonds2

About 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one

3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136569526) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID136569526
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCC1CN(C(=O)Cn2cnc3ncccc3c2=O)CC(C)(C)O1
InChIInChI=1S/C16H20N4O3/c1-11-7-19(9-16(2,3)23-11)13(21)8-20-10-18-14-12(15(20)22)5-4-6-17-14/h4-6,10-11H,7-9H2,1-3H3
InChIKeyMYOGDBZZRUIGQY-UHFFFAOYSA-N
XLogP0.82
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one (CID 136569526) is 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one is CC1CN(C(=O)Cn2cnc3ncccc3c2=O)CC(C)(C)O1.
What is the InChIKey of 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MYOGDBZZRUIGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-7-19(9-16(2,3)23-11)13(21)8-20-10-18-14-12(15(20)22)5-4-6-17-14/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one?
3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 316.36 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2,2,6-trimethylmorpholin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136569526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).