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

C19H21FN4O2S — CID 122194699

IUPACN-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
InChIInChI=1S/C19H21FN4O2S/c1-5-21-18(25)16-11(4)15-17(22-9-23-19(15)27-16)24-13-7-6-12(20)8-14(13)26-10(2)3/h6-10H,5H2,1-4H3,(H,21,25)(H,22,23,24)
InChIKeyQVHDOESZFDSEKS-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.42
Rot. Bonds6

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

N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 122194699) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID122194699
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC NameN-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C
InChIInChI=1S/C19H21FN4O2S/c1-5-21-18(25)16-11(4)15-17(22-9-23-19(15)27-16)24-13-7-6-12(20)8-14(13)26-10(2)3/h6-10H,5H2,1-4H3,(H,21,25)(H,22,23,24)
InChIKeyQVHDOESZFDSEKS-UHFFFAOYSA-N
XLogP4.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 122194699) is N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C.
What is the InChIKey of N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QVHDOESZFDSEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-5-21-18(25)16-11(4)15-17(22-9-23-19(15)27-16)24-13-7-6-12(20)8-14(13)26-10(2)3/h6-10H,5H2,1-4H3,(H,21,25)(H,22,23,24).
What are the key properties of N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluoro-2-propan-2-yloxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 122194699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).