[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C16H21N5O2S — CID 119100334

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Oc2nc(C)cc(C)n2)C1
InChIInChI=1S/C16H21N5O2S/c1-4-5-13-14(24-20-19-13)15(22)21-7-6-12(9-21)23-16-17-10(2)8-11(3)18-16/h8,12H,4-7,9H2,1-3H3
InChIKeyIMMJMQGRNFZBAL-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.19
Rot. Bonds5

About [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 119100334) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID119100334
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(Oc2nc(C)cc(C)n2)C1
InChIInChI=1S/C16H21N5O2S/c1-4-5-13-14(24-20-19-13)15(22)21-7-6-12(9-21)23-16-17-10(2)8-11(3)18-16/h8,12H,4-7,9H2,1-3H3
InChIKeyIMMJMQGRNFZBAL-UHFFFAOYSA-N
XLogP2.19
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 119100334) is [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(Oc2nc(C)cc(C)n2)C1.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is IMMJMQGRNFZBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-4-5-13-14(24-20-19-13)15(22)21-7-6-12(9-21)23-16-17-10(2)8-11(3)18-16/h8,12H,4-7,9H2,1-3H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 347.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 119100334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).