5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one

C15H18N4O3S — CID 121150592

IUPAC5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCC(Oc3nccs3)C2)c(=O)c1C
InChIInChI=1S/C15H18N4O3S/c1-10-11(2)17-9-19(14(10)21)8-13(20)18-5-3-12(7-18)22-15-16-4-6-23-15/h4,6,9,12H,3,5,7-8H2,1-2H3
InChIKeyMXXNAZUEFRBVLL-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.00
Rot. Bonds4

About 5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one

5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one (PubChem CID 121150592) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one
PubChem CID121150592
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCC(Oc3nccs3)C2)c(=O)c1C
InChIInChI=1S/C15H18N4O3S/c1-10-11(2)17-9-19(14(10)21)8-13(20)18-5-3-12(7-18)22-15-16-4-6-23-15/h4,6,9,12H,3,5,7-8H2,1-2H3
InChIKeyMXXNAZUEFRBVLL-UHFFFAOYSA-N
XLogP1.00
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one (CID 121150592) is 5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one is Cc1ncn(CC(=O)N2CCC(Oc3nccs3)C2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one?
The InChIKey is MXXNAZUEFRBVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-11(2)17-9-19(14(10)21)8-13(20)18-5-3-12(7-18)22-15-16-4-6-23-15/h4,6,9,12H,3,5,7-8H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one?
5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one has a molecular weight of 334.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-oxo-2-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 121150592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).