2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide

C16H18N4O2S — CID 39085005

IUPAC2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1cc2c(NCC(=O)NCc3ccco3)nc(C)nc2s1
InChIInChI=1S/C16H18N4O2S/c1-3-12-7-13-15(19-10(2)20-16(13)23-12)18-9-14(21)17-8-11-5-4-6-22-11/h4-7H,3,8-9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyLCNCZBCZSHOZFR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.88
Rot. Bonds6

About 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide

2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 39085005) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID39085005
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1cc2c(NCC(=O)NCc3ccco3)nc(C)nc2s1
InChIInChI=1S/C16H18N4O2S/c1-3-12-7-13-15(19-10(2)20-16(13)23-12)18-9-14(21)17-8-11-5-4-6-22-11/h4-7H,3,8-9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyLCNCZBCZSHOZFR-UHFFFAOYSA-N
XLogP2.88
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide
CID 39081926
N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide
CID 39081894
2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964816
6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 2837436
ethyl 4-[[2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]piperidine-1-carboxylate
CID 39085061
6-ethyl-2-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 6458164
1-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 82022327
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylic acid
CID 28853946
1-(4-benzylpiperidin-1-yl)-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081904
3-[[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1H-pyridazin-6-one
CID 138029991
ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103325279

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide (CID 39085005) is 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide is CCc1cc2c(NCC(=O)NCc3ccco3)nc(C)nc2s1.
What is the InChIKey of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LCNCZBCZSHOZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-3-12-7-13-15(19-10(2)20-16(13)23-12)18-9-14(21)17-8-11-5-4-6-22-11/h4-7H,3,8-9H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide?
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 39085005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).