6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine

C13H20N6O3S — CID 10427365

IUPAC6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCc1nc2c(nc1C)N(CCN1CCOCC1)S(=O)(=O)N=C2N
InChIInChI=1S/C13H20N6O3S/c1-9-10(2)16-13-11(15-9)12(14)17-23(20,21)19(13)4-3-18-5-7-22-8-6-18/h3-8H2,1-2H3,(H2,14,17)
InChIKeyKBHMJANMVUWVSA-UHFFFAOYSA-N
MW340.41 g/mol
LogP-0.80
Rot. Bonds3

About 6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine

6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (PubChem CID 10427365) has the molecular formula C13H20N6O3S and a molecular weight of 340.41 g/mol. Its IUPAC name is 6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.

Molecular Properties

Compound Name6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
PubChem CID10427365
Molecular FormulaC13H20N6O3S
Molecular Weight340.41 g/mol
Exact Mass340.13
IUPAC Name6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
SMILESCc1nc2c(nc1C)N(CCN1CCOCC1)S(=O)(=O)N=C2N
InChIInChI=1S/C13H20N6O3S/c1-9-10(2)16-13-11(15-9)12(14)17-23(20,21)19(13)4-3-18-5-7-22-8-6-18/h3-8H2,1-2H3,(H2,14,17)
InChIKeyKBHMJANMVUWVSA-UHFFFAOYSA-N
XLogP-0.80
TPSA114.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The IUPAC name of 6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine (CID 10427365) is 6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine.
What is the SMILES notation for 6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The canonical SMILES for 6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is Cc1nc2c(nc1C)N(CCN1CCOCC1)S(=O)(=O)N=C2N.
What is the InChIKey of 6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
The InChIKey is KBHMJANMVUWVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O3S/c1-9-10(2)16-13-11(15-9)12(14)17-23(20,21)19(13)4-3-18-5-7-22-8-6-18/h3-8H2,1-2H3,(H2,14,17).
What are the key properties of 6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine?
6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine has a molecular weight of 340.41 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-(2-morpholin-4-ylethyl)-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine is sourced from PubChem (CID 10427365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).