N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C21H18FN3O2S — CID 24635446

IUPACN-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)NC(C)c3ccc(F)cc3)c(C)c12
InChIInChI=1S/C21H18FN3O2S/c1-11-17-13(3)23-19(16-5-4-10-27-16)25-21(17)28-18(11)20(26)24-12(2)14-6-8-15(22)9-7-14/h4-10,12H,1-3H3,(H,24,26)
InChIKeyZMWHETCLBAIJCT-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.20
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24635446) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID24635446
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)NC(C)c3ccc(F)cc3)c(C)c12
InChIInChI=1S/C21H18FN3O2S/c1-11-17-13(3)23-19(16-5-4-10-27-16)25-21(17)28-18(11)20(26)24-12(2)14-6-8-15(22)9-7-14/h4-10,12H,1-3H3,(H,24,26)
InChIKeyZMWHETCLBAIJCT-UHFFFAOYSA-N
XLogP5.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24629562
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18290500
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568
N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24628326
2-(furan-2-yl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30386888
N-(2,4-dichlorophenyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32690486
2-(furan-2-yl)-4,5-dimethyl-N-(2-propoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18230491
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 30376404
2-(furan-2-yl)-4,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18157287
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46666183
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33265187
2-(furan-2-yl)-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25472702

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 24635446) is N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(-c2ccco2)nc2sc(C(=O)NC(C)c3ccc(F)cc3)c(C)c12.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZMWHETCLBAIJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-11-17-13(3)23-19(16-5-4-10-27-16)25-21(17)28-18(11)20(26)24-12(2)14-6-8-15(22)9-7-14/h4-10,12H,1-3H3,(H,24,26).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24635446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).