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

C14H16FN3O2 — CID 166291677

IUPAC2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(N3CCOC(CF)C3)nc12
InChIInChI=1S/C14H16FN3O2/c1-10-3-2-4-18-13(19)7-12(16-14(10)18)17-5-6-20-11(8-15)9-17/h2-4,7,11H,5-6,8-9H2,1H3
InChIKeyZSTGPYYWYZPNPR-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.18
Rot. Bonds2

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

2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 166291677) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID166291677
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(N3CCOC(CF)C3)nc12
InChIInChI=1S/C14H16FN3O2/c1-10-3-2-4-18-13(19)7-12(16-14(10)18)17-5-6-20-11(8-15)9-17/h2-4,7,11H,5-6,8-9H2,1H3
InChIKeyZSTGPYYWYZPNPR-UHFFFAOYSA-N
XLogP1.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 166291677) is 2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(N3CCOC(CF)C3)nc12.
What is the InChIKey of 2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZSTGPYYWYZPNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-10-3-2-4-18-13(19)7-12(16-14(10)18)17-5-6-20-11(8-15)9-17/h2-4,7,11H,5-6,8-9H2,1H3.
What are the key properties of 2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 277.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)morpholin-4-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166291677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).