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

C10H14N4O2S — CID 60683533

IUPAC2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(CN(C)CCO)sc2n1
InChIInChI=1S/C10H14N4O2S/c1-7-5-9(16)14-10(11-7)17-8(12-14)6-13(2)3-4-15/h5,15H,3-4,6H2,1-2H3
InChIKeyXCQSJSSJZRZGAG-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.12
Rot. Bonds4

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

2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 60683533) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID60683533
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(CN(C)CCO)sc2n1
InChIInChI=1S/C10H14N4O2S/c1-7-5-9(16)14-10(11-7)17-8(12-14)6-13(2)3-4-15/h5,15H,3-4,6H2,1-2H3
InChIKeyXCQSJSSJZRZGAG-UHFFFAOYSA-N
XLogP-0.12
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 60683533) is 2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(CN(C)CCO)sc2n1.
What is the InChIKey of 2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XCQSJSSJZRZGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-7-5-9(16)14-10(11-7)17-8(12-14)6-13(2)3-4-15/h5,15H,3-4,6H2,1-2H3.
What are the key properties of 2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 254.31 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(methyl)amino]methyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 60683533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).