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

C20H22N4O2 — CID 122179692

IUPAC9-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccccc1NCc1cccn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C20H22N4O2/c1-15-5-2-3-7-17(15)21-14-16-6-4-8-24-19(25)13-18(22-20(16)24)23-9-11-26-12-10-23/h2-8,13,21H,9-12,14H2,1H3
InChIKeyWGPHOYUJNCWSNH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.45
Rot. Bonds4

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

9-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 122179692) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 9-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID122179692
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name9-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccccc1NCc1cccn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C20H22N4O2/c1-15-5-2-3-7-17(15)21-14-16-6-4-8-24-19(25)13-18(22-20(16)24)23-9-11-26-12-10-23/h2-8,13,21H,9-12,14H2,1H3
InChIKeyWGPHOYUJNCWSNH-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-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 122179692) is 9-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1ccccc1NCc1cccn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of 9-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WGPHOYUJNCWSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-5-2-3-7-17(15)21-14-16-6-4-8-24-19(25)13-18(22-20(16)24)23-9-11-26-12-10-23/h2-8,13,21H,9-12,14H2,1H3.
What are the key properties of 9-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-[(2-methylanilino)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-[(2-methylanilino)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122179692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).