1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one

C21H28N8O — CID 58869625

IUPAC1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
SMILESCc1nc(N)ccc1CNCCn1c(C)cnc(NCCNc2ccccn2)c1=O
InChIInChI=1S/C21H28N8O/c1-15-13-27-20(26-10-9-25-19-5-3-4-8-24-19)21(30)29(15)12-11-23-14-17-6-7-18(22)28-16(17)2/h3-8,13,23H,9-12,14H2,1-2H3,(H2,22,28)(H,24,25)(H,26,27)
InChIKeyQKQHYYJMYHYTPK-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.55
Rot. Bonds10

About 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one

1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one (PubChem CID 58869625) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
PubChem CID58869625
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Name1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
SMILESCc1nc(N)ccc1CNCCn1c(C)cnc(NCCNc2ccccn2)c1=O
InChIInChI=1S/C21H28N8O/c1-15-13-27-20(26-10-9-25-19-5-3-4-8-24-19)21(30)29(15)12-11-23-14-17-6-7-18(22)28-16(17)2/h3-8,13,23H,9-12,14H2,1-2H3,(H2,22,28)(H,24,25)(H,26,27)
InChIKeyQKQHYYJMYHYTPK-UHFFFAOYSA-N
XLogP1.55
TPSA122.78 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one?
The IUPAC name of 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one (CID 58869625) is 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one is Cc1nc(N)ccc1CNCCn1c(C)cnc(NCCNc2ccccn2)c1=O.
What is the InChIKey of 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one?
The InChIKey is QKQHYYJMYHYTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O/c1-15-13-27-20(26-10-9-25-19-5-3-4-8-24-19)21(30)29(15)12-11-23-14-17-6-7-18(22)28-16(17)2/h3-8,13,23H,9-12,14H2,1-2H3,(H2,22,28)(H,24,25)(H,26,27).
What are the key properties of 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one?
1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one has a molecular weight of 408.51 g/mol, XLogP of 1.55, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one is sourced from PubChem (CID 58869625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).