N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine

C21H24ClN5O — CID 133287599

About N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine

N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine (PubChem CID 133287599) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
• PubChem CID: 133287599
• Molecular Formula: C21H24ClN5O
• Molecular Weight: 397.91 g/mol
• Exact Mass: 397.17
• IUPAC Name: N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
• SMILES: CC1(C)CN(C(CNc2ccc3nccnc3n2)c2ccc(Cl)cc2)CCO1
• InChI: InChI=1S/C21H24ClN5O/c1-21(2)14-27(11-12-28-21)18(15-3-5-16(22)6-4-15)13-25-19-8-7-17-20(26-19)24-10-9-23-17/h3-10,18H,11-14H2,1-2H3,(H,24,25,26)
• InChIKey: UQYHAMJJYBNSKT-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 63.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.91
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine?

The IUPAC name of N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine (CID 133287599) is N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine.

What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine?

The canonical SMILES for N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine is CC1(C)CN(C(CNc2ccc3nccnc3n2)c2ccc(Cl)cc2)CCO1.

What is the InChIKey of N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine?

The InChIKey is UQYHAMJJYBNSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-21(2)14-27(11-12-28-21)18(15-3-5-16(22)6-4-15)13-25-19-8-7-17-20(26-19)24-10-9-23-17/h3-10,18H,11-14H2,1-2H3,(H,24,25,26).

What are the key properties of N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine?

N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 397.91 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 133287599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).