ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate

C13H17N3O2S — CID 62007024

IUPACethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate
SMILESCCCN(CC(=O)OCC)c1ncnc2ccsc12
InChIInChI=1S/C13H17N3O2S/c1-3-6-16(8-11(17)18-4-2)13-12-10(5-7-19-12)14-9-15-13/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyMKZOGJLIJHLBEU-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.47
Rot. Bonds6

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

ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate (PubChem CID 62007024) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate
PubChem CID62007024
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Nameethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate
SMILESCCCN(CC(=O)OCC)c1ncnc2ccsc12
InChIInChI=1S/C13H17N3O2S/c1-3-6-16(8-11(17)18-4-2)13-12-10(5-7-19-12)14-9-15-13/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyMKZOGJLIJHLBEU-UHFFFAOYSA-N
XLogP2.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate 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-(Methylsulfanyl)-4-morpholinothieno[3,2-d]pyrimidine
CID 1481012
4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidin-2-amine
CID 156014835
2,4-Di-4-morpholinylthieno[3,2-d]pyrimidine
CID 72947132
4-Morpholin-4-yl-thieno[3,2-d]pyrimidine
CID 2809163
VK 744
CID 189090
4-N-[3-(dimethylamino)propyl]-2-N-(2-methoxyethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 46948133
4-N-(2-methoxyethyl)-2-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 49778657
4-N-(2-methoxyethyl)-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 49790326
Ethyl 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetate
CID 56662168
N'-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 156016083
2,6-Dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
CID 2807675
2-Hydrazinyl-4-morpholinothieno[3,2-d]pyrimidine
CID 70689092

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate (CID 62007024) is ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate is CCCN(CC(=O)OCC)c1ncnc2ccsc12.
What is the InChIKey of ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate?
The InChIKey is MKZOGJLIJHLBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-6-16(8-11(17)18-4-2)13-12-10(5-7-19-12)14-9-15-13/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate?
ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate has a molecular weight of 279.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 62007024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).