2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C15H18FN3O2 — CID 166291700

IUPAC2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(N3CCOC(CCF)C3)nc12
InChIInChI=1S/C15H18FN3O2/c1-11-3-2-6-19-14(20)9-13(17-15(11)19)18-7-8-21-12(10-18)4-5-16/h2-3,6,9,12H,4-5,7-8,10H2,1H3
InChIKeyVKJRJLQWPGCPPM-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.57
Rot. Bonds3

About 2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 166291700) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID166291700
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(N3CCOC(CCF)C3)nc12
InChIInChI=1S/C15H18FN3O2/c1-11-3-2-6-19-14(20)9-13(17-15(11)19)18-7-8-21-12(10-18)4-5-16/h2-3,6,9,12H,4-5,7-8,10H2,1H3
InChIKeyVKJRJLQWPGCPPM-UHFFFAOYSA-N
XLogP1.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 166291700) is 2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(N3CCOC(CCF)C3)nc12.
What is the InChIKey of 2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VKJRJLQWPGCPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-11-3-2-6-19-14(20)9-13(17-15(11)19)18-7-8-21-12(10-18)4-5-16/h2-3,6,9,12H,4-5,7-8,10H2,1H3.
What are the key properties of 2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 291.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166291700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).