N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide

C19H20FN3O2S — CID 43057094

IUPACN-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)N(C)CCOc3ccccc3F)sc2n1
InChIInChI=1S/C19H20FN3O2S/c1-11-16-12(2)21-13(3)22-18(16)26-17(11)19(24)23(4)9-10-25-15-8-6-5-7-14(15)20/h5-8H,9-10H2,1-4H3
InChIKeyJQESKZSTMICQQM-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 43057094) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID43057094
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)N(C)CCOc3ccccc3F)sc2n1
InChIInChI=1S/C19H20FN3O2S/c1-11-16-12(2)21-13(3)22-18(16)26-17(11)19(24)23(4)9-10-25-15-8-6-5-7-14(15)20/h5-8H,9-10H2,1-4H3
InChIKeyJQESKZSTMICQQM-UHFFFAOYSA-N
XLogP3.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 18120040
N-ethyl-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 134063367
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
N-[2-(2-fluorophenoxy)ethyl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 60958776
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
2-ethyl-N-[(2-fluorophenyl)methyl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 38046916
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17412880
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55898105
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
N-benzyl-N-(2-hydroxyethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 75466636
N-[2-(2-fluorophenoxy)ethyl]-N,2,3-trimethyl-1H-indole-5-carboxamide
CID 18119969

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 43057094) is N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)N(C)CCOc3ccccc3F)sc2n1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JQESKZSTMICQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-11-16-12(2)21-13(3)22-18(16)26-17(11)19(24)23(4)9-10-25-15-8-6-5-7-14(15)20/h5-8H,9-10H2,1-4H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 43057094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).