4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one

C15H19N5OS — CID 138051737

IUPAC4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCC1(CC)CNC(=O)C1Nc1ccnc(-c2nccs2)n1
InChIInChI=1S/C15H19N5OS/c1-3-15(4-2)9-18-13(21)11(15)19-10-5-6-16-12(20-10)14-17-7-8-22-14/h5-8,11H,3-4,9H2,1-2H3,(H,18,21)(H,16,19,20)
InChIKeyIAIXNACERBTISC-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.32
Rot. Bonds5

About 4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one

4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 138051737) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID138051737
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCCC1(CC)CNC(=O)C1Nc1ccnc(-c2nccs2)n1
InChIInChI=1S/C15H19N5OS/c1-3-15(4-2)9-18-13(21)11(15)19-10-5-6-16-12(20-10)14-17-7-8-22-14/h5-8,11H,3-4,9H2,1-2H3,(H,18,21)(H,16,19,20)
InChIKeyIAIXNACERBTISC-UHFFFAOYSA-N
XLogP2.32
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one (CID 138051737) is 4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one is CCC1(CC)CNC(=O)C1Nc1ccnc(-c2nccs2)n1.
What is the InChIKey of 4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is IAIXNACERBTISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-3-15(4-2)9-18-13(21)11(15)19-10-5-6-16-12(20-10)14-17-7-8-22-14/h5-8,11H,3-4,9H2,1-2H3,(H,18,21)(H,16,19,20).
What are the key properties of 4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 317.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-3-[[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 138051737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).