2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one

C11H13N3O2S — CID 135687169

IUPAC2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2ccsc12
InChIInChI=1S/C11H13N3O2S/c15-11-10-8(1-6-17-10)12-9(13-11)7-14-2-4-16-5-3-14/h1,6H,2-5,7H2,(H,12,13,15)
InChIKeyKUNOTAGXSUAZFB-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.82
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one

2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135687169) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135687169
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCOCC2)nc2ccsc12
InChIInChI=1S/C11H13N3O2S/c15-11-10-8(1-6-17-10)12-9(13-11)7-14-2-4-16-5-3-14/h1,6H,2-5,7H2,(H,12,13,15)
InChIKeyKUNOTAGXSUAZFB-UHFFFAOYSA-N
XLogP0.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethyl-2-(oxan-4-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729741
2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135600413
2-methylthieno[3,2-d]pyrimidin-4(3H)-one
CID 135585886
2,3-Dihydro-5H-oxazolo(3,2-a)thieno(3,2-d)pyrimidin-5-one
CID 129981
3-(2-Hydroxy-3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 51076416
2-(azocan-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135813392
N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 135987692
2-[[cyclohexylmethyl(methyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135997961
2-cyclopent-2-en-1-yl-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 136192932
10-(Morpholine-4-carbonyl)-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaen-2-one
CID 4167322
3-(2-hydroxyethyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 43417358
2-((methylamino)methyl)-3H,4H-thieno(3,2-d)pyrimidin-4-one hydrochloride
CID 135906822

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135687169) is 2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(CN2CCOCC2)nc2ccsc12.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KUNOTAGXSUAZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c15-11-10-8(1-6-17-10)12-9(13-11)7-14-2-4-16-5-3-14/h1,6H,2-5,7H2,(H,12,13,15).
What are the key properties of 2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 251.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135687169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).