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

C93H94Cl6N14O15 — CID 157383107

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

1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-chloro-5-methylbenzoyl)-1-[(2-methoxy-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione;(2-methoxy-4-pyridinyl)methanol (PubChem CID 157383107) has the molecular formula C93H94Cl6N14O15 and a molecular weight of 1860.58 g/mol. Its IUPAC name is 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-chloro-5-methylbenzoyl)-1-[(2-methoxy-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione;(2-methoxy-4-pyridinyl)methanol.

Molecular Properties

• Compound Name: 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-chloro-5-methylbenzoyl)-1-[(2-methoxy-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione;(2-methoxy-4-pyridinyl)methanol
• PubChem CID: 157383107
• Molecular Formula: C93H94Cl6N14O15
• Molecular Weight: 1860.58 g/mol
• Exact Mass: 1856.52
• IUPAC Name: 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-chloro-5-methylbenzoyl)-1-[(2-methoxy-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione;(2-methoxy-4-pyridinyl)methanol
• SMILES: COc1cc(CO)ccn1.COc1cc(Cn2c(C(=O)c3cc(C)cc(Cl)c3)c(C(C)C)c(=O)[nH]c2=O)ccn1.COc1ccc(CNc2cc(CO)cc(Cl)n2)cc1.COc1ccc(CNc2cc(Cn3c(C(=O)c4cc(C)cc(Cl)c4)c(C(C)C)c(=O)[nH]c3=O)cc(Cl)n2)cc1.Cc1cc(Cl)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(N)nc(Cl)c2)c1
• InChI: InChI=1S/C29H28Cl2N4O4.C22H22ClN3O4.C21H20Cl2N4O3.C14H15ClN2O2.C7H9NO2/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;1-12(2)18-19(20(27)15-7-13(3)8-16(23)10-15)26(22(29)25-21(18)28)11-14-5-6-24-17(9-14)30-4;1-10(2)17-18(19(28)13-4-11(3)5-14(22)8-13)27(21(30)26-20(17)29)9-12-6-15(23)25-16(24)7-12;1-19-12-4-2-10(3-5-12)8-16-14-7-11(9-18)6-13(15)17-14;1-10-7-4-6(5-9)2-3-8-7/h5-13,16H,14-15H2,1-4H3,(H,32,33)(H,34,37,38);5-10,12H,11H2,1-4H3,(H,25,28,29);4-8,10H,9H2,1-3H3,(H2,24,25)(H,26,29,30);2-7,18H,8-9H2,1H3,(H,16,17);2-4,9H,5H2,1H3
• InChIKey: BLCSBOFGCYRXLN-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 407.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1860.58
LogP ≤ 5	15.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

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

The IUPAC name of 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-chloro-5-methylbenzoyl)-1-[(2-methoxy-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione;(2-methoxy-4-pyridinyl)methanol (CID 157383107) is 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-chloro-5-methylbenzoyl)-1-[(2-methoxy-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione;(2-methoxy-4-pyridinyl)methanol.

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

The canonical SMILES for 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-chloro-5-methylbenzoyl)-1-[(2-methoxy-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione;(2-methoxy-4-pyridinyl)methanol is COc1cc(CO)ccn1.COc1cc(Cn2c(C(=O)c3cc(C)cc(Cl)c3)c(C(C)C)c(=O)[nH]c2=O)ccn1.COc1ccc(CNc2cc(CO)cc(Cl)n2)cc1.COc1ccc(CNc2cc(Cn3c(C(=O)c4cc(C)cc(Cl)c4)c(C(C)C)c(=O)[nH]c3=O)cc(Cl)n2)cc1.Cc1cc(Cl)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-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-chloro-5-methylbenzoyl)-1-[(2-methoxy-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione;(2-methoxy-4-pyridinyl)methanol?

The InChIKey is BLCSBOFGCYRXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O4.C22H22ClN3O4.C21H20Cl2N4O3.C14H15ClN2O2.C7H9NO2/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;1-12(2)18-19(20(27)15-7-13(3)8-16(23)10-15)26(22(29)25-21(18)28)11-14-5-6-24-17(9-14)30-4;1-10(2)17-18(19(28)13-4-11(3)5-14(22)8-13)27(21(30)26-20(17)29)9-12-6-15(23)25-16(24)7-12;1-19-12-4-2-10(3-5-12)8-16-14-7-11(9-18)6-13(15)17-14;1-10-7-4-6(5-9)2-3-8-7/h5-13,16H,14-15H2,1-4H3,(H,32,33)(H,34,37,38);5-10,12H,11H2,1-4H3,(H,25,28,29);4-8,10H,9H2,1-3H3,(H2,24,25)(H,26,29,30);2-7,18H,8-9H2,1H3,(H,16,17);2-4,9H,5H2,1H3.

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

1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-chloro-5-methylbenzoyl)-1-[(2-methoxy-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione;(2-methoxy-4-pyridinyl)methanol has a molecular weight of 1860.58 g/mol, XLogP of 15.84, 27 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-amino-6-chloro-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;1-[[2-chloro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3-chloro-5-methylbenzoyl)-1-[(2-methoxy-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione;(2-methoxy-4-pyridinyl)methanol is sourced from PubChem (CID 157383107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).