4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C18H19FN4O2S — CID 122194698

IUPAC4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
InChIInChI=1S/C18H19FN4O2S/c1-9(2)25-13-7-11(19)5-6-12(13)23-16-14-10(3)15(17(24)20-4)26-18(14)22-8-21-16/h5-9H,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyZGXLPGBXVQLLJW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.03
Rot. Bonds5

About 4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 122194698) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID122194698
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
InChIInChI=1S/C18H19FN4O2S/c1-9(2)25-13-7-11(19)5-6-12(13)23-16-14-10(3)15(17(24)20-4)26-18(14)22-8-21-16/h5-9H,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyZGXLPGBXVQLLJW-UHFFFAOYSA-N
XLogP4.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 122194698) is 4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C.
What is the InChIKey of 4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZGXLPGBXVQLLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-9(2)25-13-7-11(19)5-6-12(13)23-16-14-10(3)15(17(24)20-4)26-18(14)22-8-21-16/h5-9H,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of 4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-propan-2-yloxyanilino)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 122194698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).