6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C19H20N8O — CID 45173142

IUPAC6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCC(c1ccncn1)N(C)c1nc2nonc2nc1N(C)Cc1ccccc1
InChIInChI=1S/C19H20N8O/c1-13(15-9-10-20-12-21-15)27(3)19-18(22-16-17(23-19)25-28-24-16)26(2)11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3
InChIKeyPKOOHGKRIWGUPT-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.64
Rot. Bonds6

About 6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 45173142) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID45173142
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCC(c1ccncn1)N(C)c1nc2nonc2nc1N(C)Cc1ccccc1
InChIInChI=1S/C19H20N8O/c1-13(15-9-10-20-12-21-15)27(3)19-18(22-16-17(23-19)25-28-24-16)26(2)11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3
InChIKeyPKOOHGKRIWGUPT-UHFFFAOYSA-N
XLogP2.64
TPSA96.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 45173142) is 6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CC(c1ccncn1)N(C)c1nc2nonc2nc1N(C)Cc1ccccc1.
What is the InChIKey of 6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is PKOOHGKRIWGUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-13(15-9-10-20-12-21-15)27(3)19-18(22-16-17(23-19)25-28-24-16)26(2)11-14-7-5-4-6-8-14/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 376.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 45173142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).