3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one

C15H21N3O3S — CID 95582439

IUPAC3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
SMILESC[C@@H]1CN(C[C@H](O)Cn2cnc3sccc3c2=O)C[C@H](C)O1
InChIInChI=1S/C15H21N3O3S/c1-10-5-17(6-11(2)21-10)7-12(19)8-18-9-16-14-13(15(18)20)3-4-22-14/h3-4,9-12,19H,5-8H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyGSTXRNABKYSWEI-TUAOUCFPSA-N
MW323.42 g/mol
LogP0.93
Rot. Bonds4

About 3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one

3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 95582439) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
PubChem CID95582439
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one
SMILESC[C@@H]1CN(C[C@H](O)Cn2cnc3sccc3c2=O)C[C@H](C)O1
InChIInChI=1S/C15H21N3O3S/c1-10-5-17(6-11(2)21-10)7-12(19)8-18-9-16-14-13(15(18)20)3-4-22-14/h3-4,9-12,19H,5-8H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyGSTXRNABKYSWEI-TUAOUCFPSA-N
XLogP0.93
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one
CID 110017811
3-[2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 95586221
3-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 94053975
3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one
CID 24658776
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
3-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-one
CID 94386674
2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]phthalazin-1-one
CID 47073559
(2R)-1-(5,6-difluorobenzimidazol-1-yl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 95097021
(3S,4S)-4-methyl-1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 120952626
3-(2-hydroxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 110896890
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55876545
2-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]-4-phenylphthalazin-1-one
CID 47556544

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one (CID 95582439) is 3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one is C[C@@H]1CN(C[C@H](O)Cn2cnc3sccc3c2=O)C[C@H](C)O1.
What is the InChIKey of 3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GSTXRNABKYSWEI-TUAOUCFPSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-10-5-17(6-11(2)21-10)7-12(19)8-18-9-16-14-13(15(18)20)3-4-22-14/h3-4,9-12,19H,5-8H2,1-2H3/t10-,11+,12-/m0/s1.
What are the key properties of 3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one?
3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 323.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 95582439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).