7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C16H19Cl2N3O2 — CID 3968967

IUPAC7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(Cl)cn2c(=O)cc(CN3CC(C)OC(C)C3)nc2c1Cl
InChIInChI=1S/C16H19Cl2N3O2/c1-9-5-20(6-10(2)23-9)7-12-4-14(22)21-8-13(17)11(3)15(18)16(21)19-12/h4,8-10H,5-7H2,1-3H3
InChIKeyBDNKJMHXQSUUDL-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.92
Rot. Bonds2

About 7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 3968967) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID3968967
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(Cl)cn2c(=O)cc(CN3CC(C)OC(C)C3)nc2c1Cl
InChIInChI=1S/C16H19Cl2N3O2/c1-9-5-20(6-10(2)23-9)7-12-4-14(22)21-8-13(17)11(3)15(18)16(21)19-12/h4,8-10H,5-7H2,1-3H3
InChIKeyBDNKJMHXQSUUDL-UHFFFAOYSA-N
XLogP2.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 3968967) is 7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1c(Cl)cn2c(=O)cc(CN3CC(C)OC(C)C3)nc2c1Cl.
What is the InChIKey of 7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BDNKJMHXQSUUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-9-5-20(6-10(2)23-9)7-12-4-14(22)21-8-13(17)11(3)15(18)16(21)19-12/h4,8-10H,5-7H2,1-3H3.
What are the key properties of 7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 356.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dichloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3968967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).