methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate

C10H12N4O2S — CID 103324325

IUPACmethyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
SMILESCNc1nc(NCC(=O)OC)c2ccsc2n1
InChIInChI=1S/C10H12N4O2S/c1-11-10-13-8(12-5-7(15)16-2)6-3-4-17-9(6)14-10/h3-4H,5H2,1-2H3,(H2,11,12,13,14)
InChIKeyGCXNUOBHKVLINF-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.32
Rot. Bonds4

About methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate

methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate (PubChem CID 103324325) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
PubChem CID103324325
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Namemethyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
SMILESCNc1nc(NCC(=O)OC)c2ccsc2n1
InChIInChI=1S/C10H12N4O2S/c1-11-10-13-8(12-5-7(15)16-2)6-3-4-17-9(6)14-10/h3-4H,5H2,1-2H3,(H2,11,12,13,14)
InChIKeyGCXNUOBHKVLINF-UHFFFAOYSA-N
XLogP1.32
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate with MolForge

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Related Compounds

2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 103325098
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941
4-N-[(2-ethylphenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328357
5-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 106138174
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
3-methyl-4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103328737
2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159
ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103325279
2-N-methyl-4-N-(2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323418
N-tert-butyl-2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 103335475
2,4-dimethyl-1-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 103328744
5-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328237

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate (CID 103324325) is methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate is CNc1nc(NCC(=O)OC)c2ccsc2n1.
What is the InChIKey of methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate?
The InChIKey is GCXNUOBHKVLINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-11-10-13-8(12-5-7(15)16-2)6-3-4-17-9(6)14-10/h3-4H,5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate?
methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate has a molecular weight of 252.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 103324325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).