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

C21H13F2N5OS — CID 71456498

IUPACN-(2,4-difluorophenyl)-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)cc3F)c12
InChIInChI=1S/C21H13F2N5OS/c1-11-16-18(26-15-8-7-13(22)9-14(15)23)24-10-25-21(16)30-17(11)20-28-27-19(29-20)12-5-3-2-4-6-12/h2-10H,1H3,(H,24,25,26)
InChIKeyPXXBODPQQGUDHB-UHFFFAOYSA-N
MW421.43 g/mol
LogP5.74
Rot. Bonds4

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

N-(2,4-difluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 71456498) has the molecular formula C21H13F2N5OS and a molecular weight of 421.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID71456498
Molecular FormulaC21H13F2N5OS
Molecular Weight421.43 g/mol
Exact Mass421.08
IUPAC NameN-(2,4-difluorophenyl)-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)cc3F)c12
InChIInChI=1S/C21H13F2N5OS/c1-11-16-18(26-15-8-7-13(22)9-14(15)23)24-10-25-21(16)30-17(11)20-28-27-19(29-20)12-5-3-2-4-6-12/h2-10H,1H3,(H,24,25,26)
InChIKeyPXXBODPQQGUDHB-UHFFFAOYSA-N
XLogP5.74
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.43
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 71456498) is N-(2,4-difluorophenyl)-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-(2,4-difluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-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)cc3F)c12.
What is the InChIKey of N-(2,4-difluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PXXBODPQQGUDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5OS/c1-11-16-18(26-15-8-7-13(22)9-14(15)23)24-10-25-21(16)30-17(11)20-28-27-19(29-20)12-5-3-2-4-6-12/h2-10H,1H3,(H,24,25,26).
What are the key properties of N-(2,4-difluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(2,4-difluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 421.43 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71456498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).