sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite

C108H115Cl3N31NaO14 — CID 158369604

About sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite

sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite (PubChem CID 158369604) has the molecular formula C108H115Cl3N31NaO14 and a molecular weight of 2200.66 g/mol. Its IUPAC name is sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite.

Molecular Properties

• Compound Name: sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite
• PubChem CID: 158369604
• Molecular Formula: C108H115Cl3N31NaO14
• Molecular Weight: 2200.66 g/mol
• Exact Mass: 2197.82
• IUPAC Name: sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite
• SMILES: C.C1CCOC1.CCN(C(C)C)C(C)C.COc1ccc(-n2nnc3cnc(Cc4cnn(-c5ccccc5)c4)nc32)cc1.COc1ccc(Cc2nc(Cl)ncc2[N+](=O)[O-])cc1.COc1ccc(Cc2nc(Nc3cnn(-c4ccccc4)c3)ncc2N)cc1.COc1ccc(Cc2nc(Nc3cnn(-c4ccccc4)c3)ncc2[N+](=O)[O-])cc1.COc1ccc(N)cc1.Nc1cnn(-c2ccccc2)c1.O=N[O-].O=[N+]([O-])c1cnc(Cl)nc1Cl.[Na+]
• InChI: InChI=1S/C21H17N7O.C21H18N6O3.C21H20N6O.C12H10ClN3O3.C9H9N3.C8H19N.C7H9NO.C4HCl2N3O2.C4H8O.CH4.HNO2.Na/c1-29-18-9-7-17(8-10-18)28-21-19(25-26-28)13-22-20(24-21)11-15-12-23-27(14-15)16-5-3-2-4-6-16;1-30-18-9-7-15(8-10-18)11-19-20(27(28)29)13-22-21(25-19)24-16-12-23-26(14-16)17-5-3-2-4-6-17;1-28-18-9-7-15(8-10-18)11-20-19(22)13-23-21(26-20)25-16-12-24-27(14-16)17-5-3-2-4-6-17;1-19-9-4-2-8(3-5-9)6-10-11(16(17)18)7-14-12(13)15-10;10-8-6-11-12(7-8)9-4-2-1-3-5-9;1-6-9(7(2)3)8(4)5;1-9-7-4-2-6(8)3-5-7;5-3-2(9(10)11)1-7-4(6)8-3;1-2-4-5-3-1;;2-1-3;/h2-10,12-14H,11H2,1H3;2-10,12-14H,11H2,1H3,(H,22,24,25);2-10,12-14H,11,22H2,1H3,(H,23,25,26);2-5,7H,6H2,1H3;1-7H,10H2;7-8H,6H2,1-5H3;2-5H,8H2,1H3;1H;1-4H2;1H4;(H,2,3);/q;;;;;;;;;;;+1/p-1
• InChIKey: GULIJFFXJHGZPO-UHFFFAOYSA-M
• XLogP: 18.37
• TPSA: 573.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 28
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.66
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite?

The IUPAC name of sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite (CID 158369604) is sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite.

What is the SMILES notation for sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite?

The canonical SMILES for sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite is C.C1CCOC1.CCN(C(C)C)C(C)C.COc1ccc(-n2nnc3cnc(Cc4cnn(-c5ccccc5)c4)nc32)cc1.COc1ccc(Cc2nc(Cl)ncc2[N+](=O)[O-])cc1.COc1ccc(Cc2nc(Nc3cnn(-c4ccccc4)c3)ncc2N)cc1.COc1ccc(Cc2nc(Nc3cnn(-c4ccccc4)c3)ncc2[N+](=O)[O-])cc1.COc1ccc(N)cc1.Nc1cnn(-c2ccccc2)c1.O=N[O-].O=[N+]([O-])c1cnc(Cl)nc1Cl.[Na+].

What is the InChIKey of sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite?

The InChIKey is GULIJFFXJHGZPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H17N7O.C21H18N6O3.C21H20N6O.C12H10ClN3O3.C9H9N3.C8H19N.C7H9NO.C4HCl2N3O2.C4H8O.CH4.HNO2.Na/c1-29-18-9-7-17(8-10-18)28-21-19(25-26-28)13-22-20(24-21)11-15-12-23-27(14-15)16-5-3-2-4-6-16;1-30-18-9-7-15(8-10-18)11-19-20(27(28)29)13-22-21(25-19)24-16-12-23-26(14-16)17-5-3-2-4-6-17;1-28-18-9-7-15(8-10-18)11-20-19(22)13-23-21(26-20)25-16-12-24-27(14-16)17-5-3-2-4-6-17;1-19-9-4-2-8(3-5-9)6-10-11(16(17)18)7-14-12(13)15-10;10-8-6-11-12(7-8)9-4-2-1-3-5-9;1-6-9(7(2)3)8(4)5;1-9-7-4-2-6(8)3-5-7;5-3-2(9(10)11)1-7-4(6)8-3;1-2-4-5-3-1;;2-1-3;/h2-10,12-14H,11H2,1H3;2-10,12-14H,11H2,1H3,(H,22,24,25);2-10,12-14H,11,22H2,1H3,(H,23,25,26);2-5,7H,6H2,1H3;1-7H,10H2;7-8H,6H2,1-5H3;2-5H,8H2,1H3;1H;1-4H2;1H4;(H,2,3);/q;;;;;;;;;;;+1/p-1.

What are the key properties of sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite?

sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite has a molecular weight of 2200.66 g/mol, XLogP of 18.37, 28 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-chloro-4-[(4-methoxyphenyl)methyl]-5-nitropyrimidine;2,4-dichloro-5-nitropyrimidine;N-ethyl-N-propan-2-ylpropan-2-amine;methane;4-methoxyaniline;4-[(4-methoxyphenyl)methyl]-5-nitro-N-(1-phenylpyrazol-4-yl)pyrimidin-2-amine;4-[(4-methoxyphenyl)methyl]-2-N-(1-phenylpyrazol-4-yl)pyrimidine-2,5-diamine;3-(4-methoxyphenyl)-5-[(1-phenylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidine;oxolane;1-phenylpyrazol-4-amine;nitrite is sourced from PubChem (CID 158369604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).