7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H19N5O3S — CID 92716591

IUPAC7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)N3CCOCC3)sc2n1
InChIInChI=1S/C15H19N5O3S/c1-10-9-12(21)20-14(16-10)24-15(17-20)19-4-2-3-11(19)13(22)18-5-7-23-8-6-18/h9,11H,2-8H2,1H3/t11-/m1/s1
InChIKeyWEXVAEYPIPMUNU-LLVKDONJSA-N
MW349.42 g/mol
LogP0.29
Rot. Bonds2

About 7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 92716591) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID92716591
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)N3CCOCC3)sc2n1
InChIInChI=1S/C15H19N5O3S/c1-10-9-12(21)20-14(16-10)24-15(17-20)19-4-2-3-11(19)13(22)18-5-7-23-8-6-18/h9,11H,2-8H2,1H3/t11-/m1/s1
InChIKeyWEXVAEYPIPMUNU-LLVKDONJSA-N
XLogP0.29
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 92716591) is 7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)N3CCOCC3)sc2n1.
What is the InChIKey of 7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WEXVAEYPIPMUNU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-10-9-12(21)20-14(16-10)24-15(17-20)19-4-2-3-11(19)13(22)18-5-7-23-8-6-18/h9,11H,2-8H2,1H3/t11-/m1/s1.
What are the key properties of 7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 349.42 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(2R)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 92716591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).