methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C15H22N4O2S — CID 133356134

IUPACmethyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(N(C)CCN(C)C)c2c1C
InChIInChI=1S/C15H22N4O2S/c1-9-11-13(19(5)8-7-18(3)4)16-10(2)17-14(11)22-12(9)15(20)21-6/h7-8H2,1-6H3
InChIKeyPGEMSSFZHSPTLU-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.09
Rot. Bonds5

About methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 133356134) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID133356134
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Namemethyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(N(C)CCN(C)C)c2c1C
InChIInChI=1S/C15H22N4O2S/c1-9-11-13(19(5)8-7-18(3)4)16-10(2)17-14(11)22-12(9)15(20)21-6/h7-8H2,1-6H3
InChIKeyPGEMSSFZHSPTLU-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 133356134) is methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(C)nc(N(C)CCN(C)C)c2c1C.
What is the InChIKey of methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is PGEMSSFZHSPTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-9-11-13(19(5)8-7-18(3)4)16-10(2)17-14(11)22-12(9)15(20)21-6/h7-8H2,1-6H3.
What are the key properties of methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 322.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(dimethylamino)ethyl-methylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 133356134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).