N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

C21H14FN5OS — CID 71452996

IUPACN-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2nnc(-c3ccccc3)o2)sc2ncnc(Nc3ccc(F)cc3)c12
InChIInChI=1S/C21H14FN5OS/c1-12-16-18(25-15-9-7-14(22)8-10-15)23-11-24-21(16)29-17(12)20-27-26-19(28-20)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,24,25)
InChIKeyNNOVETTZGPPVQU-UHFFFAOYSA-N
MW403.44 g/mol
LogP5.60
Rot. Bonds4

About N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 71452996) has the molecular formula C21H14FN5OS and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID71452996
Molecular FormulaC21H14FN5OS
Molecular Weight403.44 g/mol
Exact Mass403.09
IUPAC NameN-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2nnc(-c3ccccc3)o2)sc2ncnc(Nc3ccc(F)cc3)c12
InChIInChI=1S/C21H14FN5OS/c1-12-16-18(25-15-9-7-14(22)8-10-15)23-11-24-21(16)29-17(12)20-27-26-19(28-20)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,24,25)
InChIKeyNNOVETTZGPPVQU-UHFFFAOYSA-N
XLogP5.60
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 71452996) is N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1c(-c2nnc(-c3ccccc3)o2)sc2ncnc(Nc3ccc(F)cc3)c12.
What is the InChIKey of N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NNOVETTZGPPVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5OS/c1-12-16-18(25-15-9-7-14(22)8-10-15)23-11-24-21(16)29-17(12)20-27-26-19(28-20)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,24,25).
What are the key properties of N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 403.44 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71452996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).