5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one

C23H27N5O2 — CID 68874747

IUPAC5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one
SMILESCc1c(N)cccc1-c1cn(C)c(=O)c(Nc2ccc(CN3CCOCC3)cc2)n1
InChIInChI=1S/C23H27N5O2/c1-16-19(4-3-5-20(16)24)21-15-27(2)23(29)22(26-21)25-18-8-6-17(7-9-18)14-28-10-12-30-13-11-28/h3-9,15H,10-14,24H2,1-2H3,(H,25,26)
InChIKeyOVEALGCQDCSQOL-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.91
Rot. Bonds5

About 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one

5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one (PubChem CID 68874747) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one.

Molecular Properties

Compound Name5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one
PubChem CID68874747
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one
SMILESCc1c(N)cccc1-c1cn(C)c(=O)c(Nc2ccc(CN3CCOCC3)cc2)n1
InChIInChI=1S/C23H27N5O2/c1-16-19(4-3-5-20(16)24)21-15-27(2)23(29)22(26-21)25-18-8-6-17(7-9-18)14-28-10-12-30-13-11-28/h3-9,15H,10-14,24H2,1-2H3,(H,25,26)
InChIKeyOVEALGCQDCSQOL-UHFFFAOYSA-N
XLogP2.91
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one?
The IUPAC name of 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one (CID 68874747) is 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one.
What is the SMILES notation for 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one?
The canonical SMILES for 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one is Cc1c(N)cccc1-c1cn(C)c(=O)c(Nc2ccc(CN3CCOCC3)cc2)n1.
What is the InChIKey of 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one?
The InChIKey is OVEALGCQDCSQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-19(4-3-5-20(16)24)21-15-27(2)23(29)22(26-21)25-18-8-6-17(7-9-18)14-28-10-12-30-13-11-28/h3-9,15H,10-14,24H2,1-2H3,(H,25,26).
What are the key properties of 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one?
5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one has a molecular weight of 405.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-methylphenyl)-1-methyl-3-[4-(morpholin-4-ylmethyl)anilino]pyrazin-2-one is sourced from PubChem (CID 68874747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).