2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C11H16N4O2S — CID 60683857

IUPAC2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nn2c(=O)cc(CN(C)CCO)nc2s1
InChIInChI=1S/C11H16N4O2S/c1-3-9-13-15-10(17)6-8(12-11(15)18-9)7-14(2)4-5-16/h6,16H,3-5,7H2,1-2H3
InChIKeyYQWMYBAOUXTFCE-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.14
Rot. Bonds5

About 2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60683857) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID60683857
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1nn2c(=O)cc(CN(C)CCO)nc2s1
InChIInChI=1S/C11H16N4O2S/c1-3-9-13-15-10(17)6-8(12-11(15)18-9)7-14(2)4-5-16/h6,16H,3-5,7H2,1-2H3
InChIKeyYQWMYBAOUXTFCE-UHFFFAOYSA-N
XLogP0.14
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 60683857) is 2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1nn2c(=O)cc(CN(C)CCO)nc2s1.
What is the InChIKey of 2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YQWMYBAOUXTFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-3-9-13-15-10(17)6-8(12-11(15)18-9)7-14(2)4-5-16/h6,16H,3-5,7H2,1-2H3.
What are the key properties of 2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 268.34 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[[2-hydroxyethyl(methyl)amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60683857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).