2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide

C18H17N3O2S — CID 71999315

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide
SMILESCN(C(=O)CC1OCCc2ccccc21)c1ncnc2ccsc12
InChIInChI=1S/C18H17N3O2S/c1-21(18-17-14(7-9-24-17)19-11-20-18)16(22)10-15-13-5-3-2-4-12(13)6-8-23-15/h2-5,7,9,11,15H,6,8,10H2,1H3
InChIKeyMUDWLLSQRTYGGJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.36
Rot. Bonds3

About 2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide

2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide (PubChem CID 71999315) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide
PubChem CID71999315
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide
SMILESCN(C(=O)CC1OCCc2ccccc21)c1ncnc2ccsc12
InChIInChI=1S/C18H17N3O2S/c1-21(18-17-14(7-9-24-17)19-11-20-18)16(22)10-15-13-5-3-2-4-12(13)6-8-23-15/h2-5,7,9,11,15H,6,8,10H2,1H3
InChIKeyMUDWLLSQRTYGGJ-UHFFFAOYSA-N
XLogP3.36
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide with MolForge

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Related Compounds

N-(1-aminopropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylacetamide
CID 119584702
N-(1-aminopropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)-N-methylacetamide;hydrochloride
CID 119584701
N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide
CID 122138030
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 96551195
N,N-dimethyl-2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetamide
CID 35790255
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-methylcyclopropyl)ethanone
CID 65421680
(2R)-2-(3,4-dihydro-1H-isochromen-1-ylmethoxy)propanoic acid
CID 104875344
1-(3,4-dihydro-1H-isochromen-1-yl)-3,4-dimethylpentan-2-one
CID 114977062
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(thiadiazol-4-yl)ethanone
CID 114984049
N-cyclopropyl-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95628255
3-amino-1-(3,4-dihydro-1H-isochromen-1-yl)-5-methylhexan-2-one
CID 116553580
1-(3-bicyclo[3.1.0]hexanyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 114977102

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide (CID 71999315) is 2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide is CN(C(=O)CC1OCCc2ccccc21)c1ncnc2ccsc12.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide?
The InChIKey is MUDWLLSQRTYGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-21(18-17-14(7-9-24-17)19-11-20-18)16(22)10-15-13-5-3-2-4-12(13)6-8-23-15/h2-5,7,9,11,15H,6,8,10H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide?
2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide has a molecular weight of 339.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-N-thieno[3,2-d]pyrimidin-4-ylacetamide is sourced from PubChem (CID 71999315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).