methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate

C12H16N4O2S — CID 103326065

IUPACmethyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCc1cc2c(NC(C)C(=O)OC)nc(N)nc2s1
InChIInChI=1S/C12H16N4O2S/c1-4-7-5-8-9(14-6(2)11(17)18-3)15-12(13)16-10(8)19-7/h5-6H,4H2,1-3H3,(H3,13,14,15,16)
InChIKeyCQHIOBCWJUBJKN-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.81
Rot. Bonds4

About methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate

methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (PubChem CID 103326065) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
PubChem CID103326065
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Namemethyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCc1cc2c(NC(C)C(=O)OC)nc(N)nc2s1
InChIInChI=1S/C12H16N4O2S/c1-4-7-5-8-9(14-6(2)11(17)18-3)15-12(13)16-10(8)19-7/h5-6H,4H2,1-3H3,(H3,13,14,15,16)
InChIKeyCQHIOBCWJUBJKN-UHFFFAOYSA-N
XLogP1.81
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate with MolForge

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Related Compounds

methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate
CID 103326674
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 103329690
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332795
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330332
4-N-[4-(dimethylamino)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326193
(2S)-2-[(6-ethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 30254006
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (CID 103326065) is methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is CCc1cc2c(NC(C)C(=O)OC)nc(N)nc2s1.
What is the InChIKey of methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The InChIKey is CQHIOBCWJUBJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-4-7-5-8-9(14-6(2)11(17)18-3)15-12(13)16-10(8)19-7/h5-6H,4H2,1-3H3,(H3,13,14,15,16).
What are the key properties of methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate has a molecular weight of 280.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 103326065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).