ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C20H30N4O3S — CID 31882210

IUPACethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)c2c1C
InChIInChI=1S/C20H30N4O3S/c1-7-26-19(25)16-14(4)15-17(22-11-23-18(15)28-16)21-10-20(5,6)24-8-12(2)27-13(3)9-24/h11-13H,7-10H2,1-6H3,(H,21,22,23)/t12-,13-/m0/s1
InChIKeyJWKGELGXBMFBEC-STQMWFEESA-N
MW406.55 g/mol
LogP3.48
Rot. Bonds6

About ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 31882210) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID31882210
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC Nameethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)c2c1C
InChIInChI=1S/C20H30N4O3S/c1-7-26-19(25)16-14(4)15-17(22-11-23-18(15)28-16)21-10-20(5,6)24-8-12(2)27-13(3)9-24/h11-13H,7-10H2,1-6H3,(H,21,22,23)/t12-,13-/m0/s1
InChIKeyJWKGELGXBMFBEC-STQMWFEESA-N
XLogP3.48
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[(2,6-dimethyloxan-4-yl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 75438022
ethyl 5-methyl-4-(propylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2239201
ethyl 4-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133399818
ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate
CID 47082826
ethyl 5-methyl-4-[1-(oxan-4-yl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133366233
4-[(6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122059199
ethyl 4-[3-(diethylamino)propylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2239208
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
ethyl 5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 3507448
ethyl 4-[[(2S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoropyrrolidin-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 167753747
ethyl 5-methyl-4-[(2-methylpyrimidin-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 51086961
ethyl 5-methyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 4293981

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 31882210) is ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(NCC(C)(C)N3C[C@H](C)O[C@@H](C)C3)c2c1C.
What is the InChIKey of ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is JWKGELGXBMFBEC-STQMWFEESA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-7-26-19(25)16-14(4)15-17(22-11-23-18(15)28-16)21-10-20(5,6)24-8-12(2)27-13(3)9-24/h11-13H,7-10H2,1-6H3,(H,21,22,23)/t12-,13-/m0/s1.
What are the key properties of ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 406.55 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 31882210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).