ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate

C19H18N6O2S — CID 32805788

IUPACethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NCc3ccnc(-n4cccn4)c3)c2c1C
InChIInChI=1S/C19H18N6O2S/c1-3-27-19(26)16-12(2)15-17(22-11-23-18(15)28-16)21-10-13-5-7-20-14(9-13)25-8-4-6-24-25/h4-9,11H,3,10H2,1-2H3,(H,21,22,23)
InChIKeyJTMDLEHPOLHHRN-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.37
Rot. Bonds6

About ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 32805788) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID32805788
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Nameethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(NCc3ccnc(-n4cccn4)c3)c2c1C
InChIInChI=1S/C19H18N6O2S/c1-3-27-19(26)16-12(2)15-17(22-11-23-18(15)28-16)21-10-13-5-7-20-14(9-13)25-8-4-6-24-25/h4-9,11H,3,10H2,1-2H3,(H,21,22,23)
InChIKeyJTMDLEHPOLHHRN-UHFFFAOYSA-N
XLogP3.37
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[(3-fluoro-4-methylphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 134032211
ethyl 5-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 3507448
ethyl 5-methyl-4-[(2-methylpyrimidin-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 51086961
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
ethyl 5-methyl-4-(propylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2239201
ethyl 1,3-dimethyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133455975
7-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 46405182
ethyl 5-methyl-4-[(4-methyl-1H-benzimidazol-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133392940
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-(3-methylanilino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 757182
ethyl 4-[3-(diethylamino)propylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2239208
ethyl 4-(2-hydroxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21011468

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate (CID 32805788) is ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(NCc3ccnc(-n4cccn4)c3)c2c1C.
What is the InChIKey of ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is JTMDLEHPOLHHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-3-27-19(26)16-12(2)15-17(22-11-23-18(15)28-16)21-10-13-5-7-20-14(9-13)25-8-4-6-24-25/h4-9,11H,3,10H2,1-2H3,(H,21,22,23).
What are the key properties of ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 394.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 32805788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).