6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

C41H41N11O2S2 — CID 157297754

IUPAC6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2sc(-c3c(-c4ccccc4)ncn3CC3CCCO3)cc12.Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CCN3CCOCC3)cc12
InChIInChI=1S/C21H22N6OS.C20H19N5OS/c22-20-16-12-17(29-21(16)24-13-23-20)19-18(15-4-2-1-3-5-15)25-14-27(19)7-6-26-8-10-28-11-9-26;21-19-15-9-16(27-20(15)23-11-22-19)18-17(13-5-2-1-3-6-13)24-12-25(18)10-14-7-4-8-26-14/h1-5,12-14H,6-11H2,(H2,22,23,24);1-3,5-6,9,11-12,14H,4,7-8,10H2,(H2,21,22,23)
InChIKeyBBNPCJZCMHJWEI-UHFFFAOYSA-N
MW783.99 g/mol
LogP7.12
Rot. Bonds9

About 6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 157297754) has the molecular formula C41H41N11O2S2 and a molecular weight of 783.99 g/mol. Its IUPAC name is 6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID157297754
Molecular FormulaC41H41N11O2S2
Molecular Weight783.99 g/mol
Exact Mass783.29
IUPAC Name6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2sc(-c3c(-c4ccccc4)ncn3CC3CCCO3)cc12.Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CCN3CCOCC3)cc12
InChIInChI=1S/C21H22N6OS.C20H19N5OS/c22-20-16-12-17(29-21(16)24-13-23-20)19-18(15-4-2-1-3-5-15)25-14-27(19)7-6-26-8-10-28-11-9-26;21-19-15-9-16(27-20(15)23-11-22-19)18-17(13-5-2-1-3-6-13)24-12-25(18)10-14-7-4-8-26-14/h1-5,12-14H,6-11H2,(H2,22,23,24);1-3,5-6,9,11-12,14H,4,7-8,10H2,(H2,21,22,23)
InChIKeyBBNPCJZCMHJWEI-UHFFFAOYSA-N
XLogP7.12
TPSA160.94 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500783.99
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 157297754) is 6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CC3CCCO3)cc12.Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3CCN3CCOCC3)cc12.
What is the InChIKey of 6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BBNPCJZCMHJWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6OS.C20H19N5OS/c22-20-16-12-17(29-21(16)24-13-23-20)19-18(15-4-2-1-3-5-15)25-14-27(19)7-6-26-8-10-28-11-9-26;21-19-15-9-16(27-20(15)23-11-22-19)18-17(13-5-2-1-3-6-13)24-12-25(18)10-14-7-4-8-26-14/h1-5,12-14H,6-11H2,(H2,22,23,24);1-3,5-6,9,11-12,14H,4,7-8,10H2,(H2,21,22,23).
What are the key properties of 6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 783.99 g/mol, XLogP of 7.12, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157297754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).