methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

C22H26N4O3S — CID 26447787

IUPACmethyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3N3CCOCC3)c2c1C
InChIInChI=1S/C22H26N4O3S/c1-14-18-20(23-15(2)24-21(18)30-19(14)22(27)28-4)25(3)13-16-7-5-6-8-17(16)26-9-11-29-12-10-26/h5-8H,9-13H2,1-4H3
InChIKeyRJNQRRMLIYPBRR-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.57
Rot. Bonds5

About methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate

methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 26447787) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID26447787
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Namemethyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3N3CCOCC3)c2c1C
InChIInChI=1S/C22H26N4O3S/c1-14-18-20(23-15(2)24-21(18)30-19(14)22(27)28-4)25(3)13-16-7-5-6-8-17(16)26-9-11-29-12-10-26/h5-8H,9-13H2,1-4H3
InChIKeyRJNQRRMLIYPBRR-UHFFFAOYSA-N
XLogP3.57
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133356134
N,2,4,5-tetramethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 52671490
methyl 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 47018178
methyl 4-[(3-hydroxy-1-phenylpropyl)-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 71866361
methyl 3-methyl-5-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]furan-2-carboxylate
CID 33196612
N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133408056
methyl 2,5-dimethyl-4-(2-methyl-2-phenylmorpholin-4-yl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 133379598
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
3-[(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoic acid
CID 122059527
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide
CID 24594996
N,4-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 24516551
N-(4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491426

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate (CID 26447787) is methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3N3CCOCC3)c2c1C.
What is the InChIKey of methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is RJNQRRMLIYPBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-14-18-20(23-15(2)24-21(18)30-19(14)22(27)28-4)25(3)13-16-7-5-6-8-17(16)26-9-11-29-12-10-26/h5-8H,9-13H2,1-4H3.
What are the key properties of methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate?
methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 426.54 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 26447787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).