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

C12H15N3O2S — CID 62005776

IUPACmethyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCc1cc2c(NC(C)C(=O)OC)ncnc2s1
InChIInChI=1S/C12H15N3O2S/c1-4-8-5-9-10(13-6-14-11(9)18-8)15-7(2)12(16)17-3/h5-7H,4H2,1-3H3,(H,13,14,15)
InChIKeyJTKXVWFGDSXLIC-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.23
Rot. Bonds4

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

methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (PubChem CID 62005776) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
PubChem CID62005776
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Namemethyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
SMILESCCc1cc2c(NC(C)C(=O)OC)ncnc2s1
InChIInChI=1S/C12H15N3O2S/c1-4-8-5-9-10(13-6-14-11(9)18-8)15-7(2)12(16)17-3/h5-7H,4H2,1-3H3,(H,13,14,15)
InChIKeyJTKXVWFGDSXLIC-UHFFFAOYSA-N
XLogP2.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide
CID 96996419
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103326065
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078329
ethyl 2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 63616724
2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 65192081
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65027345
1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 65189090
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332795
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 39081674
ethyl 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 1412737

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate (CID 62005776) is methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is CCc1cc2c(NC(C)C(=O)OC)ncnc2s1.
What is the InChIKey of methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
The InChIKey is JTKXVWFGDSXLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-4-8-5-9-10(13-6-14-11(9)18-8)15-7(2)12(16)17-3/h5-7H,4H2,1-3H3,(H,13,14,15).
What are the key properties of methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate?
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate has a molecular weight of 265.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 62005776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).