4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide

C130H116Cl2N34O9 — CID 158406037

About 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide

4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide (PubChem CID 158406037) has the molecular formula C130H116Cl2N34O9 and a molecular weight of 2369.49 g/mol. Its IUPAC name is 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide.

Molecular Properties

• Compound Name: 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide
• PubChem CID: 158406037
• Molecular Formula: C130H116Cl2N34O9
• Molecular Weight: 2369.49 g/mol
• Exact Mass: 2366.90
• IUPAC Name: 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide
• SMILES: Cc1ccc(-c2ncnc(Nc3ccc(CN)c(Cl)c3)c2O)cc1.Cc1ccc(-c2ncnc(Nc3ccc(CN)nc3)c2O)cc1.Cc1ccc(-c2ncnc(Nc3ccc4c(N)nccc4c3Cl)c2O)cc1.Cc1ccc(-c2ncnc(Nc3ccc4c(N)noc4c3)c2O)cc1.Cc1ccc(-c2ncnc(Nc3ccc4c(c3)C(=O)NC4)c2O)cc1.[H]/N=C(\N)c1ccc(Nc2ncnc(-c3ccc(CC)cc3)c2O)cc1.[H]/N=C(\N)c1ccc2nc(-c3ncnc(-c4ccc(C)cc4)c3O)[nH]c2c1
• InChI: InChI=1S/C20H16ClN5O.C19H16N6O.C19H19N5O.C19H16N4O2.C18H17ClN4O.C18H15N5O2.C17H17N5O/c1-11-2-4-12(5-3-11)17-18(27)20(25-10-24-17)26-15-7-6-14-13(16(15)21)8-9-23-19(14)22;1-10-2-4-11(5-3-10)15-17(26)16(23-9-22-15)19-24-13-7-6-12(18(20)21)8-14(13)25-19;1-2-12-3-5-13(6-4-12)16-17(25)19(23-11-22-16)24-15-9-7-14(8-10-15)18(20)21;1-11-2-4-12(5-3-11)16-17(24)18(22-10-21-16)23-14-7-6-13-9-20-19(25)15(13)8-14;1-11-2-4-12(5-3-11)16-17(24)18(22-10-21-16)23-14-7-6-13(9-20)15(19)8-14;1-10-2-4-11(5-3-10)15-16(24)18(21-9-20-15)22-12-6-7-13-14(8-12)25-23-17(13)19;1-11-2-4-12(5-3-11)15-16(23)17(21-10-20-15)22-14-7-6-13(8-18)19-9-14/h2-10,27H,1H3,(H2,22,23)(H,24,25,26);2-9,26H,1H3,(H3,20,21)(H,24,25);3-11,25H,2H2,1H3,(H3,20,21)(H,22,23,24);2-8,10,24H,9H2,1H3,(H,20,25)(H,21,22,23);2-8,10,24H,9,20H2,1H3,(H,21,22,23);2-9,24H,1H3,(H2,19,23)(H,20,21,22);2-7,9-10,23H,8,18H2,1H3,(H,20,21,22)
• InChIKey: GYSATEQCRBFKSR-UHFFFAOYSA-N
• XLogP: 24.65
• TPSA: 707.66 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2369.49
LogP ≤ 5	24.65
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide?

The IUPAC name of 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide (CID 158406037) is 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide.

What is the SMILES notation for 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide?

The canonical SMILES for 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide is Cc1ccc(-c2ncnc(Nc3ccc(CN)c(Cl)c3)c2O)cc1.Cc1ccc(-c2ncnc(Nc3ccc(CN)nc3)c2O)cc1.Cc1ccc(-c2ncnc(Nc3ccc4c(N)nccc4c3Cl)c2O)cc1.Cc1ccc(-c2ncnc(Nc3ccc4c(N)noc4c3)c2O)cc1.Cc1ccc(-c2ncnc(Nc3ccc4c(c3)C(=O)NC4)c2O)cc1.[H]/N=C(\N)c1ccc(Nc2ncnc(-c3ccc(CC)cc3)c2O)cc1.[H]/N=C(\N)c1ccc2nc(-c3ncnc(-c4ccc(C)cc4)c3O)[nH]c2c1.

What is the InChIKey of 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide?

The InChIKey is GYSATEQCRBFKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O.C19H16N6O.C19H19N5O.C19H16N4O2.C18H17ClN4O.C18H15N5O2.C17H17N5O/c1-11-2-4-12(5-3-11)17-18(27)20(25-10-24-17)26-15-7-6-14-13(16(15)21)8-9-23-19(14)22;1-10-2-4-11(5-3-10)15-17(26)16(23-9-22-15)19-24-13-7-6-12(18(20)21)8-14(13)25-19;1-2-12-3-5-13(6-4-12)16-17(25)19(23-11-22-16)24-15-9-7-14(8-10-15)18(20)21;1-11-2-4-12(5-3-11)16-17(24)18(22-10-21-16)23-14-7-6-13-9-20-19(25)15(13)8-14;1-11-2-4-12(5-3-11)16-17(24)18(22-10-21-16)23-14-7-6-13(9-20)15(19)8-14;1-10-2-4-11(5-3-10)15-16(24)18(21-9-20-15)22-12-6-7-13-14(8-12)25-23-17(13)19;1-11-2-4-12(5-3-11)15-16(23)17(21-10-20-15)22-14-7-6-13(8-18)19-9-14/h2-10,27H,1H3,(H2,22,23)(H,24,25,26);2-9,26H,1H3,(H3,20,21)(H,24,25);3-11,25H,2H2,1H3,(H3,20,21)(H,22,23,24);2-8,10,24H,9H2,1H3,(H,20,25)(H,21,22,23);2-8,10,24H,9,20H2,1H3,(H,21,22,23);2-9,24H,1H3,(H2,19,23)(H,20,21,22);2-7,9-10,23H,8,18H2,1H3,(H,20,21,22).

What are the key properties of 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide?

4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide has a molecular weight of 2369.49 g/mol, XLogP of 24.65, 25 rotatable bonds, 23 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-amino-1,2-benzoxazol-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[(1-amino-5-chloroisoquinolin-6-yl)amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[4-(aminomethyl)-3-chloroanilino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(aminomethyl)-3-pyridinyl]amino]-6-(4-methylphenyl)pyrimidin-5-ol;4-[[6-(4-ethylphenyl)-5-hydroxypyrimidin-4-yl]amino]benzenecarboximidamide;6-[[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino]-2,3-dihydroisoindol-1-one;2-[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 158406037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).