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

C11H16N4O2S — CID 60685927

IUPAC2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(CCO)Cc1nn2c(=O)cc(C)nc2s1
InChIInChI=1S/C11H16N4O2S/c1-3-14(4-5-16)7-9-13-15-10(17)6-8(2)12-11(15)18-9/h6,16H,3-5,7H2,1-2H3
InChIKeyOWFYCTHRCRLMNL-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.27
Rot. Bonds5

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

2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60685927) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID60685927
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCN(CCO)Cc1nn2c(=O)cc(C)nc2s1
InChIInChI=1S/C11H16N4O2S/c1-3-14(4-5-16)7-9-13-15-10(17)6-8(2)12-11(15)18-9/h6,16H,3-5,7H2,1-2H3
InChIKeyOWFYCTHRCRLMNL-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 60685927) is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCN(CCO)Cc1nn2c(=O)cc(C)nc2s1.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OWFYCTHRCRLMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-3-14(4-5-16)7-9-13-15-10(17)6-8(2)12-11(15)18-9/h6,16H,3-5,7H2,1-2H3.
What are the key properties of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 268.34 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60685927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).