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

C14H20N4O2S — CID 103326674

IUPACmethyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate
SMILESCCc1cc2c(NC(C(=O)OC)C(C)C)nc(N)nc2s1
InChIInChI=1S/C14H20N4O2S/c1-5-8-6-9-11(17-14(15)18-12(9)21-8)16-10(7(2)3)13(19)20-4/h6-7,10H,5H2,1-4H3,(H3,15,16,17,18)
InChIKeyNJVWXZNTHVULFU-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.45
Rot. Bonds5

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

methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate (PubChem CID 103326674) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate
PubChem CID103326674
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Namemethyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate
SMILESCCc1cc2c(NC(C(=O)OC)C(C)C)nc(N)nc2s1
InChIInChI=1S/C14H20N4O2S/c1-5-8-6-9-11(17-14(15)18-12(9)21-8)16-10(7(2)3)13(19)20-4/h6-7,10H,5H2,1-4H3,(H3,15,16,17,18)
InChIKeyNJVWXZNTHVULFU-UHFFFAOYSA-N
XLogP2.45
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103326065
4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 103329690
2-[(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 56699224
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
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanoic acid
CID 6487537
methyl 3-methyl-2-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
CID 103326679
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332795

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate (CID 103326674) is methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate is CCc1cc2c(NC(C(=O)OC)C(C)C)nc(N)nc2s1.
What is the InChIKey of methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate?
The InChIKey is NJVWXZNTHVULFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-5-8-6-9-11(17-14(15)18-12(9)21-8)16-10(7(2)3)13(19)20-4/h6-7,10H,5H2,1-4H3,(H3,15,16,17,18).
What are the key properties of methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate?
methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate has a molecular weight of 308.41 g/mol, XLogP of 2.45, 5 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]-3-methylbutanoate is sourced from PubChem (CID 103326674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).