6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one

C111H110Cl4F9N25O13 — CID 157094379

About 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one

6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 157094379) has the molecular formula C111H110Cl4F9N25O13 and a molecular weight of 2315.06 g/mol. Its IUPAC name is 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one
• PubChem CID: 157094379
• Molecular Formula: C111H110Cl4F9N25O13
• Molecular Weight: 2315.06 g/mol
• Exact Mass: 2311.73
• IUPAC Name: 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one
• SMILES: C.CCCn1c(=O)[nH]c(N)c(CC(=O)c2ccc(Cl)nc2)c1=O.CCCn1c(=O)[nH]c(N)c(N)c1=O.CCCn1c(=O)[nH]c2c(c1=O)CC(c1ccc(CCc3cccc(C(F)(F)F)c3)nc1)=N2.CCCn1c(=O)[nH]c2c(c1=O)CC(c1ccc(Cl)nc1)=N2.CCCn1c(Cl)nc2c(c1=O)CC(c1ccc(CCc3cccc(C(F)(F)F)c3)nc1)=N2.CCCn1cnc2c(c1=O)CC(c1ccc(CCc3cccc(C(F)(F)F)c3)nc1)=N2.O=C(O)c1ccc(Cl)nc1
• InChI: InChI=1S/C23H20ClF3N4O.C23H21F3N4O2.C23H21F3N4O.C14H15ClN4O3.C14H13ClN4O2.C7H12N4O2.C6H4ClNO2.CH4/c1-2-10-31-21(32)18-12-19(29-20(18)30-22(31)24)15-7-9-17(28-13-15)8-6-14-4-3-5-16(11-14)23(25,26)27;1-2-10-30-21(31)18-12-19(28-20(18)29-22(30)32)15-7-9-17(27-13-15)8-6-14-4-3-5-16(11-14)23(24,25)26;1-2-10-30-14-28-21-19(22(30)31)12-20(29-21)16-7-9-18(27-13-16)8-6-15-4-3-5-17(11-15)23(24,25)26;1-2-5-19-13(21)9(12(16)18-14(19)22)6-10(20)8-3-4-11(15)17-7-8;1-2-5-19-13(20)9-6-10(17-12(9)18-14(19)21)8-3-4-11(15)16-7-8;1-2-3-11-6(12)4(8)5(9)10-7(11)13;7-5-2-1-4(3-8-5)6(9)10;/h3-5,7,9,11,13H,2,6,8,10,12H2,1H3;3-5,7,9,11,13H,2,6,8,10,12H2,1H3,(H,29,32);3-5,7,9,11,13-14H,2,6,8,10,12H2,1H3;3-4,7H,2,5-6,16H2,1H3,(H,18,22);3-4,7H,2,5-6H2,1H3,(H,18,21);2-3,8-9H2,1H3,(H,10,13);1-3H,(H,9,10);1H4
• InChIKey: AFAOMXTYWPAXAA-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 548.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2315.06
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one?

The IUPAC name of 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one (CID 157094379) is 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one?

The canonical SMILES for 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one is C.CCCn1c(=O)[nH]c(N)c(CC(=O)c2ccc(Cl)nc2)c1=O.CCCn1c(=O)[nH]c(N)c(N)c1=O.CCCn1c(=O)[nH]c2c(c1=O)CC(c1ccc(CCc3cccc(C(F)(F)F)c3)nc1)=N2.CCCn1c(=O)[nH]c2c(c1=O)CC(c1ccc(Cl)nc1)=N2.CCCn1c(Cl)nc2c(c1=O)CC(c1ccc(CCc3cccc(C(F)(F)F)c3)nc1)=N2.CCCn1cnc2c(c1=O)CC(c1ccc(CCc3cccc(C(F)(F)F)c3)nc1)=N2.O=C(O)c1ccc(Cl)nc1.

What is the InChIKey of 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one?

The InChIKey is AFAOMXTYWPAXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O.C23H21F3N4O2.C23H21F3N4O.C14H15ClN4O3.C14H13ClN4O2.C7H12N4O2.C6H4ClNO2.CH4/c1-2-10-31-21(32)18-12-19(29-20(18)30-22(31)24)15-7-9-17(28-13-15)8-6-14-4-3-5-16(11-14)23(25,26)27;1-2-10-30-21(31)18-12-19(28-20(18)29-22(30)32)15-7-9-17(27-13-15)8-6-14-4-3-5-16(11-14)23(24,25)26;1-2-10-30-14-28-21-19(22(30)31)12-20(29-21)16-7-9-18(27-13-16)8-6-15-4-3-5-17(11-15)23(24,25)26;1-2-5-19-13(21)9(12(16)18-14(19)22)6-10(20)8-3-4-11(15)17-7-8;1-2-5-19-13(20)9-6-10(17-12(9)18-14(19)21)8-3-4-11(15)16-7-8;1-2-3-11-6(12)4(8)5(9)10-7(11)13;7-5-2-1-4(3-8-5)6(9)10;/h3-5,7,9,11,13H,2,6,8,10,12H2,1H3;3-5,7,9,11,13H,2,6,8,10,12H2,1H3,(H,29,32);3-5,7,9,11,13-14H,2,6,8,10,12H2,1H3;3-4,7H,2,5-6,16H2,1H3,(H,18,22);3-4,7H,2,5-6H2,1H3,(H,18,21);2-3,8-9H2,1H3,(H,10,13);1-3H,(H,9,10);1H4.

What are the key properties of 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one?

6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 2315.06 g/mol, XLogP of 17.39, 29 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-5-[2-(6-chloro-3-pyridinyl)-2-oxoethyl]-3-propyl-1H-pyrimidine-2,4-dione;2-chloro-3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one;6-chloropyridine-3-carboxylic acid;6-(6-chloro-3-pyridinyl)-3-propyl-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;5,6-diamino-3-propyl-1H-pyrimidine-2,4-dione;methane;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1,5-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione;3-propyl-6-[6-[2-[3-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 157094379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).