5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one

C15H20N4O2S — CID 166203980

IUPAC5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCSCC1
InChIInChI=1S/C15H20N4O2S/c1-10-12(3-4-15(21)18-5-7-22-8-6-18)11(2)19-13(16-10)9-14(20)17-19/h9H,3-8H2,1-2H3,(H,17,20)
InChIKeyISCVRQOEKGNMBF-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.15
Rot. Bonds3

About 5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one

5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 166203980) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID166203980
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCSCC1
InChIInChI=1S/C15H20N4O2S/c1-10-12(3-4-15(21)18-5-7-22-8-6-18)11(2)19-13(16-10)9-14(20)17-19/h9H,3-8H2,1-2H3,(H,17,20)
InChIKeyISCVRQOEKGNMBF-UHFFFAOYSA-N
XLogP1.15
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dimethyl-6-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 131960506
1-thiomorpholin-4-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71688984
N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 91638738
6-ethyl-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 23063922
N-(3,3-dimethylbutyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 51106811
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 51106825
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 51100400
5,7-dimethyl-6-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 56531837
6-[2-(1,1-dioxo-2,3-dihydrothieno[3,2-b][1,4]thiazin-4-yl)-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 166321331
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 111483473
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propanamide
CID 102555694
5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 95282086

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 166203980) is 5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)N1CCSCC1.
What is the InChIKey of 5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is ISCVRQOEKGNMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-12(3-4-15(21)18-5-7-22-8-6-18)11(2)19-13(16-10)9-14(20)17-19/h9H,3-8H2,1-2H3,(H,17,20).
What are the key properties of 5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one?
5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 320.42 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 166203980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).