methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate

C14H20N4O2S — CID 62013399

IUPACmethyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)Cc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H20N4O2S/c1-8-9(2)21-14-12(8)13(15)16-10(17-14)7-18(3)6-5-11(19)20-4/h5-7H2,1-4H3,(H2,15,16,17)
InChIKeyUKDZXENHLOPYTC-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.89
Rot. Bonds5

About methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate

methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate (PubChem CID 62013399) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate
PubChem CID62013399
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Namemethyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate
SMILESCOC(=O)CCN(C)Cc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C14H20N4O2S/c1-8-9(2)21-14-12(8)13(15)16-10(17-14)7-18(3)6-5-11(19)20-4/h5-7H2,1-4H3,(H2,15,16,17)
InChIKeyUKDZXENHLOPYTC-UHFFFAOYSA-N
XLogP1.89
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide
CID 62208923
5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62182672
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17484865
2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63007916
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9115252
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485493
methyl 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoate
CID 62006529
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79379457
2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide
CID 62183806
N'-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693818
2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 81062922
methyl 7-(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)heptanoate
CID 18378938

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate?
The IUPAC name of methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate (CID 62013399) is methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate?
The canonical SMILES for methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate is COC(=O)CCN(C)Cc1nc(N)c2c(C)c(C)sc2n1.
What is the InChIKey of methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate?
The InChIKey is UKDZXENHLOPYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-8-9(2)21-14-12(8)13(15)16-10(17-14)7-18(3)6-5-11(19)20-4/h5-7H2,1-4H3,(H2,15,16,17).
What are the key properties of methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate?
methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate has a molecular weight of 308.41 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate is sourced from PubChem (CID 62013399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).