(4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

C15H20N6OS — CID 110113701

IUPAC(4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC1c1cc(NC)nc(C)n1
InChIInChI=1S/C15H20N6OS/c1-4-10-14(23-20-19-10)15(22)21-7-5-6-12(21)11-8-13(16-3)18-9(2)17-11/h8,12H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyYDAYGHWLXPDMJJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.22
Rot. Bonds4

About (4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (PubChem CID 110113701) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
PubChem CID110113701
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name(4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC1c1cc(NC)nc(C)n1
InChIInChI=1S/C15H20N6OS/c1-4-10-14(23-20-19-10)15(22)21-7-5-6-12(21)11-8-13(16-3)18-9(2)17-11/h8,12H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyYDAYGHWLXPDMJJ-UHFFFAOYSA-N
XLogP2.22
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone (CID 110113701) is (4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCCC1c1cc(NC)nc(C)n1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
The InChIKey is YDAYGHWLXPDMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-4-10-14(23-20-19-10)15(22)21-7-5-6-12(21)11-8-13(16-3)18-9(2)17-11/h8,12H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of (4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110113701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).