3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid

C23H26F3N5O4S — CID 11526541

IUPAC3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1cccc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)c1
InChIInChI=1S/C21H25N5O2S.C2HF3O2/c27-16-3-1-2-15(12-16)20-23-18-13-17(14-25-6-4-22-5-7-25)29-19(18)21(24-20)26-8-10-28-11-9-26;3-2(4,5)1(6)7/h1-3,12-13,22,27H,4-11,14H2;(H,6,7)
InChIKeyGFWULAVMFBRHEI-UHFFFAOYSA-N
MW525.55 g/mol
LogP2.94
Rot. Bonds4

About 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid

3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid (PubChem CID 11526541) has the molecular formula C23H26F3N5O4S and a molecular weight of 525.55 g/mol. Its IUPAC name is 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid
PubChem CID11526541
Molecular FormulaC23H26F3N5O4S
Molecular Weight525.55 g/mol
Exact Mass525.17
IUPAC Name3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1cccc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)c1
InChIInChI=1S/C21H25N5O2S.C2HF3O2/c27-16-3-1-2-15(12-16)20-23-18-13-17(14-25-6-4-22-5-7-25)29-19(18)21(24-20)26-8-10-28-11-9-26;3-2(4,5)1(6)7/h1-3,12-13,22,27H,4-11,14H2;(H,6,7)
InChIKeyGFWULAVMFBRHEI-UHFFFAOYSA-N
XLogP2.94
TPSA111.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.55
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Related Compounds

CID 9901372
CID 9901372
CID 11539769
CID 11539769
CID 11669062
CID 11669062
CID 25023739
CID 25023739
CID 11576772
CID 11576772
CID 25023740
CID 25023740
CID 25023741
CID 25023741
CID 25023742
CID 25023742
CID 137639099
CID 137639099
CID 137661301
CID 137661301
CID 46227614
CID 46227614
CID 16757577
CID 16757577

Frequently Asked Questions

What is the IUPAC name of 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid (CID 11526541) is 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.Oc1cccc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)c1.
What is the InChIKey of 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid?
The InChIKey is GFWULAVMFBRHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S.C2HF3O2/c27-16-3-1-2-15(12-16)20-23-18-13-17(14-25-6-4-22-5-7-25)29-19(18)21(24-20)26-8-10-28-11-9-26;3-2(4,5)1(6)7/h1-3,12-13,22,27H,4-11,14H2;(H,6,7).
What are the key properties of 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid?
3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid has a molecular weight of 525.55 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11526541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).