4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C14H18F2N4O2S — CID 75448045

IUPAC4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCN(CC(F)F)C(=O)c1sc2nc(C)nc(N)c2c1C
InChIInChI=1S/C14H18F2N4O2S/c1-7-10-12(17)18-8(2)19-13(10)23-11(7)14(21)20(4-5-22-3)6-9(15)16/h9H,4-6H2,1-3H3,(H2,17,18,19)
InChIKeyLOTMFLSTTHWXEQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.24
Rot. Bonds6

About 4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 75448045) has the molecular formula C14H18F2N4O2S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID75448045
Molecular FormulaC14H18F2N4O2S
Molecular Weight344.39 g/mol
Exact Mass344.11
IUPAC Name4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOCCN(CC(F)F)C(=O)c1sc2nc(C)nc(N)c2c1C
InChIInChI=1S/C14H18F2N4O2S/c1-7-10-12(17)18-8(2)19-13(10)23-11(7)14(21)20(4-5-22-3)6-9(15)16/h9H,4-6H2,1-3H3,(H2,17,18,19)
InChIKeyLOTMFLSTTHWXEQ-UHFFFAOYSA-N
XLogP2.24
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 75448045) is 4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is COCCN(CC(F)F)C(=O)c1sc2nc(C)nc(N)c2c1C.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LOTMFLSTTHWXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O2S/c1-7-10-12(17)18-8(2)19-13(10)23-11(7)14(21)20(4-5-22-3)6-9(15)16/h9H,4-6H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 75448045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).