tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride

C101H105Cl6N21O14 — CID 157324399

About tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride

tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride (PubChem CID 157324399) has the molecular formula C101H105Cl6N21O14 and a molecular weight of 2049.80 g/mol. Its IUPAC name is tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride.

Molecular Properties

• Compound Name: tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride
• PubChem CID: 157324399
• Molecular Formula: C101H105Cl6N21O14
• Molecular Weight: 2049.80 g/mol
• Exact Mass: 2045.63
• IUPAC Name: tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride
• SMILES: C.CNc1ccc(O)cc1.CNc1ccc(OC)cc1.COc1ccc(N(C)c2ncnc3occ(C)c23)cc1.COc1ccc(N)cc1.COc1ccc(Nc2ncnc3occ(C)c23)cc1.COc1ccc(Nc2ncnc3occ(C)c23)cc1.Cc1coc2ncnc(Cl)c12.Cc1coc2ncnc(Cl)c12.Cc1coc2ncnc(Cl)c12.Cc1coc2ncnc(N(C)c3ccc(O)cc3)c12.Cl.Cl.Cl
• InChI: InChI=1S/C15H15N3O2.3C14H13N3O2.C8H11NO.3C7H5ClN2O.2C7H9NO.CH4.3ClH/c1-10-8-20-15-13(10)14(16-9-17-15)18(2)11-4-6-12(19-3)7-5-11;2*1-9-7-19-14-12(9)13(15-8-16-14)17-10-3-5-11(18-2)6-4-10;1-9-7-19-14-12(9)13(15-8-16-14)17(2)10-3-5-11(18)6-4-10;1-9-7-3-5-8(10-2)6-4-7;3*1-4-2-11-7-5(4)6(8)9-3-10-7;1-9-7-4-2-6(8)3-5-7;1-8-6-2-4-7(9)5-3-6;;;;/h4-9H,1-3H3;2*3-8H,1-2H3,(H,15,16,17);3-8,18H,1-2H3;3-6,9H,1-2H3;3*2-3H,1H3;2-5H,8H2,1H3;2-5,8-9H,1H3;1H4;3*1H
• InChIKey: HIFBBCLWGCEDCP-UHFFFAOYSA-N
• XLogP: 25.78
• TPSA: 439.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2049.80
LogP ≤ 5	25.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride?

The IUPAC name of tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride (CID 157324399) is tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride.

What is the SMILES notation for tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride?

The canonical SMILES for tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride is C.CNc1ccc(O)cc1.CNc1ccc(OC)cc1.COc1ccc(N(C)c2ncnc3occ(C)c23)cc1.COc1ccc(N)cc1.COc1ccc(Nc2ncnc3occ(C)c23)cc1.COc1ccc(Nc2ncnc3occ(C)c23)cc1.Cc1coc2ncnc(Cl)c12.Cc1coc2ncnc(Cl)c12.Cc1coc2ncnc(Cl)c12.Cc1coc2ncnc(N(C)c3ccc(O)cc3)c12.Cl.Cl.Cl.

What is the InChIKey of tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride?

The InChIKey is HIFBBCLWGCEDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2.3C14H13N3O2.C8H11NO.3C7H5ClN2O.2C7H9NO.CH4.3ClH/c1-10-8-20-15-13(10)14(16-9-17-15)18(2)11-4-6-12(19-3)7-5-11;2*1-9-7-19-14-12(9)13(15-8-16-14)17-10-3-5-11(18-2)6-4-10;1-9-7-19-14-12(9)13(15-8-16-14)17(2)10-3-5-11(18)6-4-10;1-9-7-3-5-8(10-2)6-4-7;3*1-4-2-11-7-5(4)6(8)9-3-10-7;1-9-7-4-2-6(8)3-5-7;1-8-6-2-4-7(9)5-3-6;;;;/h4-9H,1-3H3;2*3-8H,1-2H3,(H,15,16,17);3-8,18H,1-2H3;3-6,9H,1-2H3;3*2-3H,1H3;2-5H,8H2,1H3;2-5,8-9H,1H3;1H4;3*1H.

What are the key properties of tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride?

tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride has a molecular weight of 2049.80 g/mol, XLogP of 25.78, 15 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tris(4-chloro-5-methylfuro[2,3-d]pyrimidine);methane;4-methoxyaniline;4-methoxy-N-methylaniline;N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine;bis(N-(4-methoxyphenyl)-5-methylfuro[2,3-d]pyrimidin-4-amine);4-(methylamino)phenol;4-[methyl-(5-methylfuro[2,3-d]pyrimidin-4-yl)amino]phenol;trihydrochloride is sourced from PubChem (CID 157324399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).