ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C15H21N3O3S — CID 28848730

IUPACethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(N(CC)CCO)c2c1C
InChIInChI=1S/C15H21N3O3S/c1-5-18(7-8-19)13-11-9(3)12(15(20)21-6-2)22-14(11)17-10(4)16-13/h19H,5-8H2,1-4H3
InChIKeyPTHTWVTUQZOXLU-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.30
Rot. Bonds6

About ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 28848730) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID28848730
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Nameethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(C)nc(N(CC)CCO)c2c1C
InChIInChI=1S/C15H21N3O3S/c1-5-18(7-8-19)13-11-9(3)12(15(20)21-6-2)22-14(11)17-10(4)16-13/h19H,5-8H2,1-4H3
InChIKeyPTHTWVTUQZOXLU-UHFFFAOYSA-N
XLogP2.30
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoic acid
CID 122059527
ethyl 4-[2-hydroxypropyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133274748
propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28847415
ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate
CID 28815592
N,N-diethyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 35474995
methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133356134
ethyl 4-(cyanomethylsulfanyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 17391650
ethyl 4-(2-hydroxypropylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4963425
methyl 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 47018178
4-(diethylamino)-2,5-dimethyl-N-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23987564
2-[(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol
CID 82022314
1-(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064581

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 28848730) is ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(C)nc(N(CC)CCO)c2c1C.
What is the InChIKey of ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is PTHTWVTUQZOXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-5-18(7-8-19)13-11-9(3)12(15(20)21-6-2)22-14(11)17-10(4)16-13/h19H,5-8H2,1-4H3.
What are the key properties of ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 323.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 28848730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).