N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

C20H20FN3O3S — CID 78844936

IUPACN-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C20H20FN3O3S/c1-13-17(19(28-3)23-18(22-13)16-9-6-11-26-16)20(25)24(2)10-12-27-15-8-5-4-7-14(15)21/h4-9,11H,10,12H2,1-3H3
InChIKeyZBYJEXIKQAVQJR-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.06
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 78844936) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID78844936
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)N(C)CCOc1ccccc1F
InChIInChI=1S/C20H20FN3O3S/c1-13-17(19(28-3)23-18(22-13)16-9-6-11-26-16)20(25)24(2)10-12-27-15-8-5-4-7-14(15)21/h4-9,11H,10,12H2,1-3H3
InChIKeyZBYJEXIKQAVQJR-UHFFFAOYSA-N
XLogP4.06
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 78844785
(2-fluorophenyl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 30756870
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-[di(propan-2-yl)amino]-2-oxoethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 46531059
N-[2-(2-fluorophenoxy)ethyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
CID 46656087
N-[2-(2-fluorophenoxy)ethyl]-N,2,4,5-tetramethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43057094
N-[2-(2-fluorophenoxy)ethyl]-N-methylnaphthalene-2-carboxamide
CID 26960272
2-(furan-2-yl)-4-methyl-6-methylsulfanyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrimidine-5-carboxamide
CID 52658925
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 78887529
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 46545487
(5-fluoro-2-nitrophenyl) 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 55536910

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (CID 78844936) is N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(-c2ccco2)nc(C)c1C(=O)N(C)CCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is ZBYJEXIKQAVQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-13-17(19(28-3)23-18(22-13)16-9-6-11-26-16)20(25)24(2)10-12-27-15-8-5-4-7-14(15)21/h4-9,11H,10,12H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 78844936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).