acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide

C126H123Cl3N46O17 — CID 157155530

About acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide

acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide (PubChem CID 157155530) has the molecular formula C126H123Cl3N46O17 and a molecular weight of 2660.03 g/mol. Its IUPAC name is acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide
• PubChem CID: 157155530
• Molecular Formula: C126H123Cl3N46O17
• Molecular Weight: 2660.03 g/mol
• Exact Mass: 2656.92
• IUPAC Name: acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide
• SMILES: CC(=O)Nc1ccc(N)cn1.CC(=O)Nc1ccc([N+](=O)[O-])cn1.CC(=O)OC(C)=O.Cc1cc(Cc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)nc2)nc(N)n1.Cc1cc(Cl)nc(N)n1.Cc1cc(Nc2ccc(N)nc2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)nc2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2)nc(N)n1.Cc1ccc(Nc2cc(C)nc(N)n2)cn1.Clc1ccnc2ccccc12.Nc1ccc([N+](=O)[O-])cn1.O=C(Cl)c1ccc([N+](=O)[O-])cc1
• InChI: InChI=1S/C27H23N7O.C17H15N7O3.C17H17N7O.C11H13N5.C10H12N6.C9H6ClN.C7H4ClNO3.C7H7N3O3.C7H9N3O.C5H6ClN3.C5H5N3O2.C4H6O3/c1-17-14-21(33-27(28)31-17)15-18-6-11-25(30-16-18)34-26(35)19-7-9-20(10-8-19)32-24-12-13-29-23-5-3-2-4-22(23)24;1-10-8-15(23-17(18)20-10)21-12-4-7-14(19-9-12)22-16(25)11-2-5-13(6-3-11)24(26)27;1-10-8-15(24-17(19)21-10)22-13-6-7-14(20-9-13)23-16(25)11-2-4-12(18)5-3-11;1-7-3-4-9(6-13-7)15-10-5-8(2)14-11(12)16-10;1-6-4-9(16-10(12)14-6)15-7-2-3-8(11)13-5-7;10-8-5-6-11-9-4-2-1-3-7(8)9;8-7(10)5-1-3-6(4-2-5)9(11)12;1-5(11)9-7-3-2-6(4-8-7)10(12)13;1-5(11)10-7-3-2-6(8)4-9-7;1-3-2-4(6)9-5(7)8-3;6-5-2-1-4(3-7-5)8(9)10;1-3(5)7-4(2)6/h2-14,16H,15H2,1H3,(H,29,32)(H2,28,31,33)(H,30,34,35);2-9H,1H3,(H,19,22,25)(H3,18,20,21,23);2-9H,18H2,1H3,(H,20,23,25)(H3,19,21,22,24);3-6H,1-2H3,(H3,12,14,15,16);2-5H,1H3,(H2,11,13)(H3,12,14,15,16);1-6H;1-4H;2-4H,1H3,(H,8,9,11);2-4H,8H2,1H3,(H,9,10,11);2H,1H3,(H2,7,8,9);1-3H,(H2,6,7);1-2H3
• InChIKey: ALTLAVVGIRUPDX-UHFFFAOYSA-N
• XLogP: 20.93
• TPSA: 982.43 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 54
• Rotatable Bonds: 25
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2660.03
LogP ≤ 5	20.93
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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 acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide?

The IUPAC name of acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide (CID 157155530) is acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide.

What is the SMILES notation for acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide?

The canonical SMILES for acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide is CC(=O)Nc1ccc(N)cn1.CC(=O)Nc1ccc([N+](=O)[O-])cn1.CC(=O)OC(C)=O.Cc1cc(Cc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)nc2)nc(N)n1.Cc1cc(Cl)nc(N)n1.Cc1cc(Nc2ccc(N)nc2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)nc2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2)nc(N)n1.Cc1ccc(Nc2cc(C)nc(N)n2)cn1.Clc1ccnc2ccccc12.Nc1ccc([N+](=O)[O-])cn1.O=C(Cl)c1ccc([N+](=O)[O-])cc1.

What is the InChIKey of acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide?

The InChIKey is ALTLAVVGIRUPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O.C17H15N7O3.C17H17N7O.C11H13N5.C10H12N6.C9H6ClN.C7H4ClNO3.C7H7N3O3.C7H9N3O.C5H6ClN3.C5H5N3O2.C4H6O3/c1-17-14-21(33-27(28)31-17)15-18-6-11-25(30-16-18)34-26(35)19-7-9-20(10-8-19)32-24-12-13-29-23-5-3-2-4-22(23)24;1-10-8-15(23-17(18)20-10)21-12-4-7-14(19-9-12)22-16(25)11-2-5-13(6-3-11)24(26)27;1-10-8-15(24-17(19)21-10)22-13-6-7-14(20-9-13)23-16(25)11-2-4-12(18)5-3-11;1-7-3-4-9(6-13-7)15-10-5-8(2)14-11(12)16-10;1-6-4-9(16-10(12)14-6)15-7-2-3-8(11)13-5-7;10-8-5-6-11-9-4-2-1-3-7(8)9;8-7(10)5-1-3-6(4-2-5)9(11)12;1-5(11)9-7-3-2-6(4-8-7)10(12)13;1-5(11)10-7-3-2-6(8)4-9-7;1-3-2-4(6)9-5(7)8-3;6-5-2-1-4(3-7-5)8(9)10;1-3(5)7-4(2)6/h2-14,16H,15H2,1H3,(H,29,32)(H2,28,31,33)(H,30,34,35);2-9H,1H3,(H,19,22,25)(H3,18,20,21,23);2-9H,18H2,1H3,(H,20,23,25)(H3,19,21,22,24);3-6H,1-2H3,(H3,12,14,15,16);2-5H,1H3,(H2,11,13)(H3,12,14,15,16);1-6H;1-4H;2-4H,1H3,(H,8,9,11);2-4H,8H2,1H3,(H,9,10,11);2H,1H3,(H2,7,8,9);1-3H,(H2,6,7);1-2H3.

What are the key properties of acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide?

acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide has a molecular weight of 2660.03 g/mol, XLogP of 20.93, 25 rotatable bonds, 20 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;4-amino-N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]benzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-nitrobenzamide;N-[5-[(2-amino-6-methylpyrimidin-4-yl)methyl]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;N-(5-amino-2-pyridinyl)acetamide;4-N-(6-amino-3-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(6-methyl-3-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;N-(5-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 157155530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).