7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H16N4OS — CID 55103506

IUPAC7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)CCN)cc(=O)n12
InChIInChI=1S/C11H16N4OS/c1-8-7-17-11-13-9(5-10(16)15(8)11)6-14(2)4-3-12/h5,7H,3-4,6,12H2,1-2H3
InChIKeyGLLSDYSHOWTZAC-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.45
Rot. Bonds4

About 7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 55103506) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID55103506
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)CCN)cc(=O)n12
InChIInChI=1S/C11H16N4OS/c1-8-7-17-11-13-9(5-10(16)15(8)11)6-14(2)4-3-12/h5,7H,3-4,6,12H2,1-2H3
InChIKeyGLLSDYSHOWTZAC-UHFFFAOYSA-N
XLogP0.45
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 55103506) is 7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN(C)CCN)cc(=O)n12.
What is the InChIKey of 7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GLLSDYSHOWTZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-8-7-17-11-13-9(5-10(16)15(8)11)6-14(2)4-3-12/h5,7H,3-4,6,12H2,1-2H3.
What are the key properties of 7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 252.34 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-aminoethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 55103506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).