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

C17H17FN4O2S — CID 122194697

IUPAC4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12
InChIInChI=1S/C17H17FN4O2S/c1-8(2)24-12-6-10(18)4-5-11(12)22-16-13-9(3)14(15(19)23)25-17(13)21-7-20-16/h4-8H,1-3H3,(H2,19,23)(H,20,21,22)
InChIKeySKMYKZYXPMRFNN-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.77
Rot. Bonds5

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

4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 122194697) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID122194697
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12
InChIInChI=1S/C17H17FN4O2S/c1-8(2)24-12-6-10(18)4-5-11(12)22-16-13-9(3)14(15(19)23)25-17(13)21-7-20-16/h4-8H,1-3H3,(H2,19,23)(H,20,21,22)
InChIKeySKMYKZYXPMRFNN-UHFFFAOYSA-N
XLogP3.77
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.77
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)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 122194697) is 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12.
What is the InChIKey of 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SKMYKZYXPMRFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-8(2)24-12-6-10(18)4-5-11(12)22-16-13-9(3)14(15(19)23)25-17(13)21-7-20-16/h4-8H,1-3H3,(H2,19,23)(H,20,21,22).
What are the key properties of 4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.77, 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)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 122194697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).