6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

C26H23FN6OS — CID 11755160

IUPAC6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2sc(-c3c(-c4ccc(F)cc4)ncn3Cc3ccccc3N3CCOCC3)cc12
InChIInChI=1S/C26H23FN6OS/c27-19-7-5-17(6-8-19)23-24(22-13-20-25(28)29-15-30-26(20)35-22)33(16-31-23)14-18-3-1-2-4-21(18)32-9-11-34-12-10-32/h1-8,13,15-16H,9-12,14H2,(H2,28,29,30)
InChIKeyLAMYVORMCDHAED-UHFFFAOYSA-N
MW486.58 g/mol
LogP4.83
Rot. Bonds5

About 6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 11755160) has the molecular formula C26H23FN6OS and a molecular weight of 486.58 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID11755160
Molecular FormulaC26H23FN6OS
Molecular Weight486.58 g/mol
Exact Mass486.16
IUPAC Name6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2sc(-c3c(-c4ccc(F)cc4)ncn3Cc3ccccc3N3CCOCC3)cc12
InChIInChI=1S/C26H23FN6OS/c27-19-7-5-17(6-8-19)23-24(22-13-20-25(28)29-15-30-26(20)35-22)33(16-31-23)14-18-3-1-2-4-21(18)32-9-11-34-12-10-32/h1-8,13,15-16H,9-12,14H2,(H2,28,29,30)
InChIKeyLAMYVORMCDHAED-UHFFFAOYSA-N
XLogP4.83
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 11755160) is 6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is Nc1ncnc2sc(-c3c(-c4ccc(F)cc4)ncn3Cc3ccccc3N3CCOCC3)cc12.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LAMYVORMCDHAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6OS/c27-19-7-5-17(6-8-19)23-24(22-13-20-25(28)29-15-30-26(20)35-22)33(16-31-23)14-18-3-1-2-4-21(18)32-9-11-34-12-10-32/h1-8,13,15-16H,9-12,14H2,(H2,28,29,30).
What are the key properties of 6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 486.58 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-[(2-morpholin-4-ylphenyl)methyl]imidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11755160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).