1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane

C115H125Cl3F3N21O15 — CID 159650941

About 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane

1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane (PubChem CID 159650941) has the molecular formula C115H125Cl3F3N21O15 and a molecular weight of 2204.75 g/mol. Its IUPAC name is 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane.

Molecular Properties

• Compound Name: 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane
• PubChem CID: 159650941
• Molecular Formula: C115H125Cl3F3N21O15
• Molecular Weight: 2204.75 g/mol
• Exact Mass: 2201.87
• IUPAC Name: 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane
• SMILES: C.C.COc1ccc(CNc2cc(CO)cc(F)n2)cc1.COc1ccc(CNc2cc(Cn3c(C(=O)c4cc(C)cc(C)c4)c(C(C)C)c(=O)[nH]c3=O)cc(F)n2)cc1.Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(N)nc(F)c2)c1.Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(Cl)n2)c1.Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(N)n2)c1.ClCc1ccnc(Cl)n1
• InChI: InChI=1S/C30H31FN4O4.C22H23FN4O3.C21H21ClN4O3.C21H23N5O3.C14H15FN2O2.C5H4Cl2N2.2CH4/c1-17(2)26-27(28(36)22-11-18(3)10-19(4)12-22)35(30(38)34-29(26)37)16-21-13-24(31)33-25(14-21)32-15-20-6-8-23(39-5)9-7-20;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;2*1-11(2)16-17(18(27)14-8-12(3)7-13(4)9-14)26(21(29)25-19(16)28)10-15-5-6-23-20(22)24-15;1-19-12-4-2-10(3-5-12)8-16-14-7-11(9-18)6-13(15)17-14;6-3-4-1-2-8-5(7)9-4;;/h6-14,17H,15-16H2,1-5H3,(H,32,33)(H,34,37,38);5-9,11H,10H2,1-4H3,(H2,24,25)(H,26,29,30);5-9,11H,10H2,1-4H3,(H,25,28,29);5-9,11H,10H2,1-4H3,(H2,22,23,24)(H,25,28,29);2-7,18H,8-9H2,1H3,(H,16,17);1-2H,3H2;2*1H4
• InChIKey: MRODXTSGKNMEAF-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 518.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.75
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane?

The IUPAC name of 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane (CID 159650941) is 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane.

What is the SMILES notation for 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane?

The canonical SMILES for 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane is C.C.COc1ccc(CNc2cc(CO)cc(F)n2)cc1.COc1ccc(CNc2cc(Cn3c(C(=O)c4cc(C)cc(C)c4)c(C(C)C)c(=O)[nH]c3=O)cc(F)n2)cc1.Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(N)nc(F)c2)c1.Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(Cl)n2)c1.Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(N)n2)c1.ClCc1ccnc(Cl)n1.

What is the InChIKey of 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane?

The InChIKey is MRODXTSGKNMEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O4.C22H23FN4O3.C21H21ClN4O3.C21H23N5O3.C14H15FN2O2.C5H4Cl2N2.2CH4/c1-17(2)26-27(28(36)22-11-18(3)10-19(4)12-22)35(30(38)34-29(26)37)16-21-13-24(31)33-25(14-21)32-15-20-6-8-23(39-5)9-7-20;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;2*1-11(2)16-17(18(27)14-8-12(3)7-13(4)9-14)26(21(29)25-19(16)28)10-15-5-6-23-20(22)24-15;1-19-12-4-2-10(3-5-12)8-16-14-7-11(9-18)6-13(15)17-14;6-3-4-1-2-8-5(7)9-4;;/h6-14,17H,15-16H2,1-5H3,(H,32,33)(H,34,37,38);5-9,11H,10H2,1-4H3,(H2,24,25)(H,26,29,30);5-9,11H,10H2,1-4H3,(H,25,28,29);5-9,11H,10H2,1-4H3,(H2,22,23,24)(H,25,28,29);2-7,18H,8-9H2,1H3,(H,16,17);1-2H,3H2;2*1H4.

What are the key properties of 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane?

1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane has a molecular weight of 2204.75 g/mol, XLogP of 17.79, 30 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-amino-6-fluoro-4-pyridinyl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;1-[(2-aminopyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;2-chloro-4-(chloromethyl)pyrimidine;1-[(2-chloropyrimidin-4-yl)methyl]-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione;6-(3,5-dimethylbenzoyl)-1-[[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methyl]-5-propan-2-ylpyrimidine-2,4-dione;[2-fluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]methanol;methane is sourced from PubChem (CID 159650941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).