7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H23N3OS — CID 92846439

IUPAC7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)[C@H](C)C(C)(C)C)cc(=O)n12
InChIInChI=1S/C15H23N3OS/c1-10-9-20-14-16-12(7-13(19)18(10)14)8-17(6)11(2)15(3,4)5/h7,9,11H,8H2,1-6H3/t11-/m1/s1
InChIKeyXWSLKOIKFHWYBK-LLVKDONJSA-N
MW293.44 g/mol
LogP2.93
Rot. Bonds3

About 7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 92846439) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID92846439
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(CN(C)[C@H](C)C(C)(C)C)cc(=O)n12
InChIInChI=1S/C15H23N3OS/c1-10-9-20-14-16-12(7-13(19)18(10)14)8-17(6)11(2)15(3,4)5/h7,9,11H,8H2,1-6H3/t11-/m1/s1
InChIKeyXWSLKOIKFHWYBK-LLVKDONJSA-N
XLogP2.93
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]ethyl]benzenesulfonamide
CID 51470240
7-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357949
2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 54900295
(2S)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]propanoic acid
CID 104876458
7-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51178605
7-(1-aminopropan-2-ylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66219107
3-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
CID 60840392
7-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 110881828
7-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17396980
7-[[2,4-di(propan-2-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 56808662
7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17400460
3-methyl-7-[[methyl(pyrrolidin-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 106613747

Frequently Asked Questions

What is the IUPAC name of 7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 92846439) is 7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(CN(C)[C@H](C)C(C)(C)C)cc(=O)n12.
What is the InChIKey of 7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XWSLKOIKFHWYBK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-9-20-14-16-12(7-13(19)18(10)14)8-17(6)11(2)15(3,4)5/h7,9,11H,8H2,1-6H3/t11-/m1/s1.
What are the key properties of 7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 293.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[(2R)-3,3-dimethylbutan-2-yl]-methylamino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 92846439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).