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

C13H20N4O2S — CID 133313163

IUPAC7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N(CC)CC(C)(C)O)sc2n1
InChIInChI=1S/C13H20N4O2S/c1-5-9-7-10(18)17-11(14-9)20-12(15-17)16(6-2)8-13(3,4)19/h7,19H,5-6,8H2,1-4H3
InChIKeyLNETXCXFOQMAIE-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.31
Rot. Bonds5

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

7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133313163) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133313163
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1cc(=O)n2nc(N(CC)CC(C)(C)O)sc2n1
InChIInChI=1S/C13H20N4O2S/c1-5-9-7-10(18)17-11(14-9)20-12(15-17)16(6-2)8-13(3,4)19/h7,19H,5-6,8H2,1-4H3
InChIKeyLNETXCXFOQMAIE-UHFFFAOYSA-N
XLogP1.31
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-ethyl-2-[ethyl(2-methylbutyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133356910
7-ethyl-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133356834
2-[[4-(dimethylamino)phenyl]methyl-ethylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133383896
2-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 98767983
2-[methyl(2-methylpropyl)amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133276782
2-[(4-chloro-3-fluorophenyl)methyl-methylamino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133431128
2-[(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-2-methylpropanoic acid
CID 81230773
7-ethyl-2-(1,3-thiazol-4-ylmethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133278099
N-(3-methylbutyl)-2-[methyl-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893212
7-ethyl-2-(4-ethylsulfonylpiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133278608
2-[1-(4-fluorophenyl)ethyl-methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133350656
N,N-diethyl-4-[[(7-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 87013225

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133313163) is 7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CCc1cc(=O)n2nc(N(CC)CC(C)(C)O)sc2n1.
What is the InChIKey of 7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LNETXCXFOQMAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-5-9-7-10(18)17-11(14-9)20-12(15-17)16(6-2)8-13(3,4)19/h7,19H,5-6,8H2,1-4H3.
What are the key properties of 7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 296.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133313163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).