ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine

C65H64N10O8S — CID 159182904

About ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine

ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine (PubChem CID 159182904) has the molecular formula C65H64N10O8S and a molecular weight of 1145.36 g/mol. Its IUPAC name is ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine.

Molecular Properties

• Compound Name: ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine
• PubChem CID: 159182904
• Molecular Formula: C65H64N10O8S
• Molecular Weight: 1145.36 g/mol
• Exact Mass: 1144.46
• IUPAC Name: ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine
• SMILES: CCOC(=O)c1cnc(C)nc1.CCOC(=O)c1cnc(NC2c3ccccc3CCc3ccccc32)nc1.NC1c2ccccc2CCc2ccccc21.O=C(NO)c1cnc(NC2c3ccccc3CCc3ccccc32)nc1.O=S=O
• InChI: InChI=1S/C22H21N3O2.C20H18N4O2.C15H15N.C8H10N2O2.O2S/c1-2-27-21(26)17-13-23-22(24-14-17)25-20-18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20;25-19(24-26)15-11-21-20(22-12-15)23-18-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)18;16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15;1-3-12-8(11)7-4-9-6(2)10-5-7;1-3-2/h3-10,13-14,20H,2,11-12H2,1H3,(H,23,24,25);1-8,11-12,18,26H,9-10H2,(H,24,25)(H,21,22,23);1-8,15H,9-10,16H2;4-5H,3H2,1-2H3
• InChIKey: KNCWTAWTGAXZNL-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 263.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1145.36
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine?

The IUPAC name of ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine (CID 159182904) is ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine.

What is the SMILES notation for ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine?

The canonical SMILES for ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine is CCOC(=O)c1cnc(C)nc1.CCOC(=O)c1cnc(NC2c3ccccc3CCc3ccccc32)nc1.NC1c2ccccc2CCc2ccccc21.O=C(NO)c1cnc(NC2c3ccccc3CCc3ccccc32)nc1.O=S=O.

What is the InChIKey of ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine?

The InChIKey is KNCWTAWTGAXZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.C20H18N4O2.C15H15N.C8H10N2O2.O2S/c1-2-27-21(26)17-13-23-22(24-14-17)25-20-18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20;25-19(24-26)15-11-21-20(22-12-15)23-18-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)18;16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15;1-3-12-8(11)7-4-9-6(2)10-5-7;1-3-2/h3-10,13-14,20H,2,11-12H2,1H3,(H,23,24,25);1-8,11-12,18,26H,9-10H2,(H,24,25)(H,21,22,23);1-8,15H,9-10,16H2;4-5H,3H2,1-2H3;.

What are the key properties of ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine?

ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine has a molecular weight of 1145.36 g/mol, XLogP of 9.97, 9 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-methylpyrimidine-5-carboxylate;ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxylate;N-hydroxy-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)pyrimidine-5-carboxamide;sulfur dioxide;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine is sourced from PubChem (CID 159182904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).