N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C21H15FN6OS — CID 166320074

IUPACN-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1Cc1noc(CNc2nc(-c3ccccn3)nc3sccc23)n1
InChIInChI=1S/C21H15FN6OS/c22-15-6-2-1-5-13(15)11-17-25-18(29-28-17)12-24-19-14-8-10-30-21(14)27-20(26-19)16-7-3-4-9-23-16/h1-10H,11-12H2,(H,24,26,27)
InChIKeyIYDOSUAQESSOSQ-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.48
Rot. Bonds6

About N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166320074) has the molecular formula C21H15FN6OS and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166320074
Molecular FormulaC21H15FN6OS
Molecular Weight418.46 g/mol
Exact Mass418.10
IUPAC NameN-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1Cc1noc(CNc2nc(-c3ccccn3)nc3sccc23)n1
InChIInChI=1S/C21H15FN6OS/c22-15-6-2-1-5-13(15)11-17-25-18(29-28-17)12-24-19-14-8-10-30-21(14)27-20(26-19)16-7-3-4-9-23-16/h1-10H,11-12H2,(H,24,26,27)
InChIKeyIYDOSUAQESSOSQ-UHFFFAOYSA-N
XLogP4.48
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166320046
N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166320075
3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 166320094
N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166246019
N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166245983
N-cyclopropyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 166245959
4,6-dichloro-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine
CID 86668904
N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
CID 70697151
N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166278916
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 16767692
5-bromo-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)furan-3-carboxamide
CID 167862934
4-nitroso-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 143216106

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 166320074) is N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is Fc1ccccc1Cc1noc(CNc2nc(-c3ccccn3)nc3sccc23)n1.
What is the InChIKey of N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IYDOSUAQESSOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6OS/c22-15-6-2-1-5-13(15)11-17-25-18(29-28-17)12-24-19-14-8-10-30-21(14)27-20(26-19)16-7-3-4-9-23-16/h1-10H,11-12H2,(H,24,26,27).
What are the key properties of N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 418.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166320074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).