ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

C18H25N3O4S — CID 96526350

IUPACethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(N(C)[C@@H](C)C(=O)OC(C)(C)C)c2c1C
InChIInChI=1S/C18H25N3O4S/c1-8-24-17(23)13-10(2)12-14(19-9-20-15(12)26-13)21(7)11(3)16(22)25-18(4,5)6/h9,11H,8H2,1-7H3/t11-/m0/s1
InChIKeyJRQMHNAJUBBRCC-NSHDSACASA-N
MW379.48 g/mol
LogP3.34
Rot. Bonds5

About ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 96526350) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID96526350
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Nameethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(N(C)[C@@H](C)C(=O)OC(C)(C)C)c2c1C
InChIInChI=1S/C18H25N3O4S/c1-8-24-17(23)13-10(2)12-14(19-9-20-15(12)26-13)21(7)11(3)16(22)25-18(4,5)6/h9,11H,8H2,1-7H3/t11-/m0/s1
InChIKeyJRQMHNAJUBBRCC-NSHDSACASA-N
XLogP3.34
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-methyl-4-(propylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2239201
ethyl 5-methyl-4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 26455008
propan-2-yl 4-[2-hydroxyethyl(methyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 28847295
ethyl 4-[3-(diethylamino)propylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2239208
4-(diethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 4547744
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-[2-hydroxypropyl(methyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133274748
ethyl 4-(2-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21011468
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
ethyl 5-methyl-4-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 47075081
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate (CID 96526350) is ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(N(C)[C@@H](C)C(=O)OC(C)(C)C)c2c1C.
What is the InChIKey of ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is JRQMHNAJUBBRCC-NSHDSACASA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-8-24-17(23)13-10(2)12-14(19-9-20-15(12)26-13)21(7)11(3)16(22)25-18(4,5)6/h9,11H,8H2,1-7H3/t11-/m0/s1.
What are the key properties of ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 379.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-[methyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 96526350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).