3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine

C56H56ClF9N14O7S3 — CID 165040690

About 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine

3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine (PubChem CID 165040690) has the molecular formula C56H56ClF9N14O7S3 and a molecular weight of 1339.79 g/mol. Its IUPAC name is 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine.

Molecular Properties

• Compound Name: 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine
• PubChem CID: 165040690
• Molecular Formula: C56H56ClF9N14O7S3
• Molecular Weight: 1339.79 g/mol
• Exact Mass: 1338.32
• IUPAC Name: 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine
• SMILES: C1COCCN1.C[C@@H](N)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2sc(C(=O)N3CCOCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2sc(C(=O)O)cc12)c1cc(N)cc(C(F)(F)F)c1.O=C(O)c1cc2c(Cl)ncnc2s1
• InChI: InChI=1S/C20H20F3N5O2S.C16H13F3N4O2S.C9H11F3N2.C7H3ClN2O2S.C4H9NO/c1-11(12-6-13(20(21,22)23)8-14(24)7-12)27-17-15-9-16(31-18(15)26-10-25-17)19(29)28-2-4-30-5-3-28;1-7(8-2-9(16(17,18)19)4-10(20)3-8)23-13-11-5-12(15(24)25)26-14(11)22-6-21-13;1-5(13)6-2-7(9(10,11)12)4-8(14)3-6;8-5-3-1-4(7(11)12)13-6(3)10-2-9-5;1-3-6-4-2-5-1/h6-11H,2-5,24H2,1H3,(H,25,26,27);2-7H,20H2,1H3,(H,24,25)(H,21,22,23);2-5H,13-14H2,1H3;1-2H,(H,11,12);5H,1-4H2/t11-;7-;5-;;/m111../s1
• InChIKey: OBUUHECMNIVEOZ-VGNJCLCLSA-N
• XLogP: 12.06
• TPSA: 330.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1339.79
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine?

The IUPAC name of 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine (CID 165040690) is 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine.

What is the SMILES notation for 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine?

The canonical SMILES for 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine is C1COCCN1.C[C@@H](N)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2sc(C(=O)N3CCOCC3)cc12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ncnc2sc(C(=O)O)cc12)c1cc(N)cc(C(F)(F)F)c1.O=C(O)c1cc2c(Cl)ncnc2s1.

What is the InChIKey of 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine?

The InChIKey is OBUUHECMNIVEOZ-VGNJCLCLSA-N. The full InChI is InChI=1S/C20H20F3N5O2S.C16H13F3N4O2S.C9H11F3N2.C7H3ClN2O2S.C4H9NO/c1-11(12-6-13(20(21,22)23)8-14(24)7-12)27-17-15-9-16(31-18(15)26-10-25-17)19(29)28-2-4-30-5-3-28;1-7(8-2-9(16(17,18)19)4-10(20)3-8)23-13-11-5-12(15(24)25)26-14(11)22-6-21-13;1-5(13)6-2-7(9(10,11)12)4-8(14)3-6;8-5-3-1-4(7(11)12)13-6(3)10-2-9-5;1-3-6-4-2-5-1/h6-11H,2-5,24H2,1H3,(H,25,26,27);2-7H,20H2,1H3,(H,24,25)(H,21,22,23);2-5H,13-14H2,1H3;1-2H,(H,11,12);5H,1-4H2/t11-;7-;5-;;/m111../s1.

What are the key properties of 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine?

3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine has a molecular weight of 1339.79 g/mol, XLogP of 12.06, 10 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline;4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid;[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone;4-chlorothieno[2,3-d]pyrimidine-6-carboxylic acid;morpholine is sourced from PubChem (CID 165040690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).