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

C15H21N3O2S — CID 56818278

IUPAC3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)CC3CCCCO3)cc(=O)n12
InChIInChI=1S/C15H21N3O2S/c1-11-10-21-15-16-12(7-14(19)18(11)15)8-17(2)9-13-5-3-4-6-20-13/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyVPIGCUJSCLTOQA-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.07
Rot. Bonds4

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

3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 56818278) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID56818278
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)CC3CCCCO3)cc(=O)n12
InChIInChI=1S/C15H21N3O2S/c1-11-10-21-15-16-12(7-14(19)18(11)15)8-17(2)9-13-5-3-4-6-20-13/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyVPIGCUJSCLTOQA-UHFFFAOYSA-N
XLogP2.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 56818278) is 3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN(C)CC3CCCCO3)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is VPIGCUJSCLTOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-10-21-15-16-12(7-14(19)18(11)15)8-17(2)9-13-5-3-4-6-20-13/h7,10,13H,3-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 307.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[[methyl(oxan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 56818278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).