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

C20H22N4O2 — CID 10269329

IUPAC9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(NCc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C20H22N4O2/c1-15-11-17(21-13-16-5-3-2-4-6-16)20-22-18(12-19(25)24(20)14-15)23-7-9-26-10-8-23/h2-6,11-12,14,21H,7-10,13H2,1H3
InChIKeyUBJVUQITODDUCW-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.45
Rot. Bonds4

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

9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 10269329) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID10269329
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(NCc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C20H22N4O2/c1-15-11-17(21-13-16-5-3-2-4-6-16)20-22-18(12-19(25)24(20)14-15)23-7-9-26-10-8-23/h2-6,11-12,14,21H,7-10,13H2,1H3
InChIKeyUBJVUQITODDUCW-UHFFFAOYSA-N
XLogP2.45
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 10269329) is 9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(NCc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of 9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UBJVUQITODDUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-11-17(21-13-16-5-3-2-4-6-16)20-22-18(12-19(25)24(20)14-15)23-7-9-26-10-8-23/h2-6,11-12,14,21H,7-10,13H2,1H3.
What are the key properties of 9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzylamino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10269329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).