3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one

C8H9N3OS — CID 1478283

IUPAC3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)n1cnc2ccsc2c1=O
InChIInChI=1S/C8H9N3OS/c1-10(2)11-5-9-6-3-4-13-7(6)8(11)12/h3-5H,1-2H3
InChIKeyAWOYUYYWUGDAAS-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.66
Rot. Bonds1

About 3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one

3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 1478283) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID1478283
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)n1cnc2ccsc2c1=O
InChIInChI=1S/C8H9N3OS/c1-10(2)11-5-9-6-3-4-13-7(6)8(11)12/h3-5H,1-2H3
InChIKeyAWOYUYYWUGDAAS-UHFFFAOYSA-N
XLogP0.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135417422
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740
3-(Methylamino)-3,4-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2806117
3H-Thieno[3,2-d]pyrimidin-4-one, 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethylsulfanyl]-
CID 3677285
2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135600413
3-ethyl-2-(propylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 3484012
3-Methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one
CID 118719987
3-Ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729734
3-Ethyl-2-(propylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729735
3-Ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 118729737
2-(Tert-butylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729738

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one (CID 1478283) is 3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one is CN(C)n1cnc2ccsc2c1=O.
What is the InChIKey of 3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is AWOYUYYWUGDAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-10(2)11-5-9-6-3-4-13-7(6)8(11)12/h3-5H,1-2H3.
What are the key properties of 3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one?
3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 195.25 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 1478283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).