6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C13H17N5O3S — CID 135731953

IUPAC6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CN(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)CC(C)O1
InChIInChI=1S/C13H17N5O3S/c1-7-4-18(5-8(2)21-7)10(19)6-22-13-15-11-9(3-14-17-11)12(20)16-13/h3,7-8H,4-6H2,1-2H3,(H2,14,15,16,17,20)
InChIKeyBWASVLGGYDPHQL-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.37
Rot. Bonds3

About 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135731953) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135731953
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC Name6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1CN(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)CC(C)O1
InChIInChI=1S/C13H17N5O3S/c1-7-4-18(5-8(2)21-7)10(19)6-22-13-15-11-9(3-14-17-11)12(20)16-13/h3,7-8H,4-6H2,1-2H3,(H2,14,15,16,17,20)
InChIKeyBWASVLGGYDPHQL-UHFFFAOYSA-N
XLogP0.37
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135731953) is 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CC1CN(C(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)CC(C)O1.
What is the InChIKey of 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BWASVLGGYDPHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-7-4-18(5-8(2)21-7)10(19)6-22-13-15-11-9(3-14-17-11)12(20)16-13/h3,7-8H,4-6H2,1-2H3,(H2,14,15,16,17,20).
What are the key properties of 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 323.38 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135731953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).