3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one

C14H15N3O2S — CID 102685535

IUPAC3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CCNCc3ccco3)cnc12
InChIInChI=1S/C14H15N3O2S/c1-10-8-20-13-12(10)16-9-17(14(13)18)5-4-15-7-11-3-2-6-19-11/h2-3,6,8-9,15H,4-5,7H2,1H3
InChIKeyVZOAZEKGIQRSCS-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.15
Rot. Bonds5

About 3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one

3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 102685535) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID102685535
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CCNCc3ccco3)cnc12
InChIInChI=1S/C14H15N3O2S/c1-10-8-20-13-12(10)16-9-17(14(13)18)5-4-15-7-11-3-2-6-19-11/h2-3,6,8-9,15H,4-5,7H2,1H3
InChIKeyVZOAZEKGIQRSCS-UHFFFAOYSA-N
XLogP2.15
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(furan-2-ylmethylamino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 62564089
3-[2-(4-fluoroanilino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685564
5-[2-(furan-2-ylmethylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62567120
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39834339
7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685622
2-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 55023371
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
CID 102685683
7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 102685572
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 102685489

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 102685535) is 3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(CCNCc3ccco3)cnc12.
What is the InChIKey of 3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is VZOAZEKGIQRSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-8-20-13-12(10)16-9-17(14(13)18)5-4-15-7-11-3-2-6-19-11/h2-3,6,8-9,15H,4-5,7H2,1H3.
What are the key properties of 3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 289.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).