sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide

C75H71N12NaO15 — CID 160772520

About sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide

sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide (PubChem CID 160772520) has the molecular formula C75H71N12NaO15 and a molecular weight of 1403.45 g/mol. Its IUPAC name is sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide.

Molecular Properties

• Compound Name: sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide
• PubChem CID: 160772520
• Molecular Formula: C75H71N12NaO15
• Molecular Weight: 1403.45 g/mol
• Exact Mass: 1402.51
• IUPAC Name: sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide
• SMILES: CCOC(=O)Cc1ccccc1NC(=O)c1nc(-c2cccc(CN)c2)c2occc2n1.CCOC(=O)Cc1ccccc1NC(=O)c1nc(-c2cccc(CNC(=O)OC(C)(C)C)c2)c2occc2n1.NCc1cccc(-c2nc(C(=O)Nc3ccccc3CC(=O)O)nc3ccoc23)c1.[Na+].[OH-]
• InChI: InChI=1S/C29H30N4O6.C24H22N4O4.C22H18N4O4.Na.H2O/c1-5-37-23(34)16-19-10-6-7-12-21(19)32-27(35)26-31-22-13-14-38-25(22)24(33-26)20-11-8-9-18(15-20)17-30-28(36)39-29(2,3)4;1-2-31-20(29)13-16-7-3-4-9-18(16)27-24(30)23-26-19-10-11-32-22(19)21(28-23)17-8-5-6-15(12-17)14-25;23-12-13-4-3-6-15(10-13)19-20-17(8-9-30-20)24-21(26-19)22(29)25-16-7-2-1-5-14(16)11-18(27)28;;/h6-15H,5,16-17H2,1-4H3,(H,30,36)(H,32,35);3-12H,2,13-14,25H2,1H3,(H,27,30);1-10H,11-12,23H2,(H,25,29)(H,27,28);;1H2/q;;;+1;/p-1
• InChIKey: RZMUNPPPAJIGLY-UHFFFAOYSA-M
• XLogP: 9.03
• TPSA: 414.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1403.45
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide?

The IUPAC name of sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide (CID 160772520) is sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide.

What is the SMILES notation for sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide?

The canonical SMILES for sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide is CCOC(=O)Cc1ccccc1NC(=O)c1nc(-c2cccc(CN)c2)c2occc2n1.CCOC(=O)Cc1ccccc1NC(=O)c1nc(-c2cccc(CNC(=O)OC(C)(C)C)c2)c2occc2n1.NCc1cccc(-c2nc(C(=O)Nc3ccccc3CC(=O)O)nc3ccoc23)c1.[Na+].[OH-].

What is the InChIKey of sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide?

The InChIKey is RZMUNPPPAJIGLY-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H30N4O6.C24H22N4O4.C22H18N4O4.Na.H2O/c1-5-37-23(34)16-19-10-6-7-12-21(19)32-27(35)26-31-22-13-14-38-25(22)24(33-26)20-11-8-9-18(15-20)17-30-28(36)39-29(2,3)4;1-2-31-20(29)13-16-7-3-4-9-18(16)27-24(30)23-26-19-10-11-32-22(19)21(28-23)17-8-5-6-15(12-17)14-25;23-12-13-4-3-6-15(10-13)19-20-17(8-9-30-20)24-21(26-19)22(29)25-16-7-2-1-5-14(16)11-18(27)28;;/h6-15H,5,16-17H2,1-4H3,(H,30,36)(H,32,35);3-12H,2,13-14,25H2,1H3,(H,27,30);1-10H,11-12,23H2,(H,25,29)(H,27,28);;1H2/q;;;+1;/p-1.

What are the key properties of sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide?

sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide has a molecular weight of 1403.45 g/mol, XLogP of 9.03, 21 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;ethyl 2-[2-[[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]furo[3,2-d]pyrimidine-2-carbonyl]amino]phenyl]acetate;hydroxide is sourced from PubChem (CID 160772520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).