9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C21H23FN4O2 — CID 10134497

IUPAC9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(CNc2ccc(F)cc2C)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C21H23FN4O2/c1-14-9-16(12-23-18-4-3-17(22)10-15(18)2)21-24-19(11-20(27)26(21)13-14)25-5-7-28-8-6-25/h3-4,9-11,13,23H,5-8,12H2,1-2H3
InChIKeyHULZHTWCMXMIEU-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.90
Rot. Bonds4

About 9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 10134497) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID10134497
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(CNc2ccc(F)cc2C)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C21H23FN4O2/c1-14-9-16(12-23-18-4-3-17(22)10-15(18)2)21-24-19(11-20(27)26(21)13-14)25-5-7-28-8-6-25/h3-4,9-11,13,23H,5-8,12H2,1-2H3
InChIKeyHULZHTWCMXMIEU-UHFFFAOYSA-N
XLogP2.90
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 10134497) is 9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(CNc2ccc(F)cc2C)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of 9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HULZHTWCMXMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-14-9-16(12-23-18-4-3-17(22)10-15(18)2)21-24-19(11-20(27)26(21)13-14)25-5-7-28-8-6-25/h3-4,9-11,13,23H,5-8,12H2,1-2H3.
What are the key properties of 9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 382.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluoro-2-methylanilino)methyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10134497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).