3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one

C12H13N3O3S — CID 51280170

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2ccsc2c1=O)N1CCOCC1
InChIInChI=1S/C12H13N3O3S/c16-10(14-2-4-18-5-3-14)7-15-8-13-9-1-6-19-11(9)12(15)17/h1,6,8H,2-5,7H2
InChIKeyNDFOEBOKEYGQPR-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.32
Rot. Bonds2

About 3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one

3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 51280170) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID51280170
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2ccsc2c1=O)N1CCOCC1
InChIInChI=1S/C12H13N3O3S/c16-10(14-2-4-18-5-3-14)7-15-8-13-9-1-6-19-11(9)12(15)17/h1,6,8H,2-5,7H2
InChIKeyNDFOEBOKEYGQPR-UHFFFAOYSA-N
XLogP0.32
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
CID 30090161
3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 30090006
3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 39013558
3-[2-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 170506205
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
3-[2-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 99982099
2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone
CID 115616713
3-methyl-4-(4-oxothieno[3,2-d]pyrimidin-3-yl)but-2-enoic acid
CID 77005789
3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62023205
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17486924
3-[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 41036645
3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111461745

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one (CID 51280170) is 3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one is O=C(Cn1cnc2ccsc2c1=O)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is NDFOEBOKEYGQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-10(14-2-4-18-5-3-14)7-15-8-13-9-1-6-19-11(9)12(15)17/h1,6,8H,2-5,7H2.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one?
3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 279.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 51280170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).