1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol

C65H66BrCl3N10O9 — CID 160817595

About 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol

1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol (PubChem CID 160817595) has the molecular formula C65H66BrCl3N10O9 and a molecular weight of 1317.57 g/mol. Its IUPAC name is 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol.

Molecular Properties

• Compound Name: 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol
• PubChem CID: 160817595
• Molecular Formula: C65H66BrCl3N10O9
• Molecular Weight: 1317.57 g/mol
• Exact Mass: 1314.33
• IUPAC Name: 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol
• SMILES: COc1ccc(CNc2cc(CO)cc(Cl)n2)cc1.COc1ccc(CNc2cc(Cn3c(C(=O)c4cc(C)cc(Br)c4)c(C(C)C)c(=O)[nH]c3=O)cc(Cl)n2)cc1.Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(N)nc(Cl)c2)c1
• InChI: InChI=1S/C29H28BrClN4O4.C22H23ClN4O3.C14H15ClN2O2/c1-16(2)25-26(27(36)20-9-17(3)10-21(30)13-20)35(29(38)34-28(25)37)15-19-11-23(31)33-24(12-19)32-14-18-5-7-22(39-4)8-6-18;1-11(2)18-19(20(28)15-6-12(3)5-13(4)7-15)27(22(30)26-21(18)29)10-14-8-16(23)25-17(24)9-14;1-19-12-4-2-10(3-5-12)8-16-14-7-11(9-18)6-13(15)17-14/h5-13,16H,14-15H2,1-4H3,(H,32,33)(H,34,37,38);5-9,11H,10H2,1-4H3,(H2,24,25)(H,26,29,30);2-7,18H,8-9H2,1H3,(H,16,17)
• InChIKey: SFCJZNYWEZAMGG-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 271.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1317.57
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol?

The IUPAC name of 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol (CID 160817595) is 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol.

What is the SMILES notation for 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol?

The canonical SMILES for 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol is COc1ccc(CNc2cc(CO)cc(Cl)n2)cc1.COc1ccc(CNc2cc(Cn3c(C(=O)c4cc(C)cc(Br)c4)c(C(C)C)c(=O)[nH]c3=O)cc(Cl)n2)cc1.Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(N)nc(Cl)c2)c1.

What is the InChIKey of 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol?

The InChIKey is SFCJZNYWEZAMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28BrClN4O4.C22H23ClN4O3.C14H15ClN2O2/c1-16(2)25-26(27(36)20-9-17(3)10-21(30)13-20)35(29(38)34-28(25)37)15-19-11-23(31)33-24(12-19)32-14-18-5-7-22(39-4)8-6-18;1-11(2)18-19(20(28)15-6-12(3)5-13(4)7-15)27(22(30)26-21(18)29)10-14-8-16(23)25-17(24)9-14;1-19-12-4-2-10(3-5-12)8-16-14-7-11(9-18)6-13(15)17-14/h5-13,16H,14-15H2,1-4H3,(H,32,33)(H,34,37,38);5-9,11H,10H2,1-4H3,(H2,24,25)(H,26,29,30);2-7,18H,8-9H2,1H3,(H,16,17).

What are the key properties of 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol?

1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol has a molecular weight of 1317.57 g/mol, XLogP of 11.71, 19 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-bromo-5-methylbenzoyl)-1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 160817595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).