6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine

C70H50Cl9N23O6S4 — CID 157182622

About 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine

6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 157182622) has the molecular formula C70H50Cl9N23O6S4 and a molecular weight of 1756.67 g/mol. Its IUPAC name is 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 157182622
• Molecular Formula: C70H50Cl9N23O6S4
• Molecular Weight: 1756.67 g/mol
• Exact Mass: 1751.04
• IUPAC Name: 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: Clc1nc(Cl)c2cc(Cl)[nH]c2n1.Cn1c(Cl)cc2c(C(=O)c3cccs3)nc(Cl)nc21.Cn1c(Cl)cc2c(C(=O)c3cccs3)nc(NCc3cccnc3)nc21.Cn1c(Cl)cc2c(Cl)nc(Cl)nc21.Cn1c(NC(=O)c2cccs2)cc2c(C(=O)c3cccs3)nc(NCc3cccnc3)nc21.Nc1cc(=O)[nH]c(=O)[nH]1
• InChI: InChI=1S/C23H18N6O2S2.C18H14ClN5OS.C12H7Cl2N3OS.C7H4Cl3N3.C6H2Cl3N3.C4H5N3O2/c1-29-18(26-22(31)17-7-4-10-33-17)11-15-19(20(30)16-6-3-9-32-16)27-23(28-21(15)29)25-13-14-5-2-8-24-12-14;1-24-14(19)8-12-15(16(25)13-5-3-7-26-13)22-18(23-17(12)24)21-10-11-4-2-6-20-9-11;1-17-8(13)5-6-9(15-12(14)16-11(6)17)10(18)7-3-2-4-19-7;1-13-4(8)2-3-5(9)11-7(10)12-6(3)13;7-3-1-2-4(8)11-6(9)12-5(2)10-3;5-2-1-3(8)7-4(9)6-2/h2-12H,13H2,1H3,(H,26,31)(H,25,27,28);2-9H,10H2,1H3,(H,21,22,23);2-5H,1H3;2H,1H3;1H,(H,10,11,12);1H,(H4,5,6,7,8,9)
• InChIKey: AOSYCAMENBLARM-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 386.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1756.67
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine?

The IUPAC name of 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine (CID 157182622) is 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine?

The canonical SMILES for 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine is Clc1nc(Cl)c2cc(Cl)[nH]c2n1.Cn1c(Cl)cc2c(C(=O)c3cccs3)nc(Cl)nc21.Cn1c(Cl)cc2c(C(=O)c3cccs3)nc(NCc3cccnc3)nc21.Cn1c(Cl)cc2c(Cl)nc(Cl)nc21.Cn1c(NC(=O)c2cccs2)cc2c(C(=O)c3cccs3)nc(NCc3cccnc3)nc21.Nc1cc(=O)[nH]c(=O)[nH]1.

What is the InChIKey of 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine?

The InChIKey is AOSYCAMENBLARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S2.C18H14ClN5OS.C12H7Cl2N3OS.C7H4Cl3N3.C6H2Cl3N3.C4H5N3O2/c1-29-18(26-22(31)17-7-4-10-33-17)11-15-19(20(30)16-6-3-9-32-16)27-23(28-21(15)29)25-13-14-5-2-8-24-12-14;1-24-14(19)8-12-15(16(25)13-5-3-7-26-13)22-18(23-17(12)24)21-10-11-4-2-6-20-9-11;1-17-8(13)5-6-9(15-12(14)16-11(6)17)10(18)7-3-2-4-19-7;1-13-4(8)2-3-5(9)11-7(10)12-6(3)13;7-3-1-2-4(8)11-6(9)12-5(2)10-3;5-2-1-3(8)7-4(9)6-2/h2-12H,13H2,1H3,(H,26,31)(H,25,27,28);2-9H,10H2,1H3,(H,21,22,23);2-5H,1H3;2H,1H3;1H,(H,10,11,12);1H,(H4,5,6,7,8,9).

What are the key properties of 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine?

6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1756.67 g/mol, XLogP of 16.56, 14 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-1H-pyrimidine-2,4-dione;[6-chloro-7-methyl-2-(pyridin-3-ylmethylamino)pyrrolo[2,3-d]pyrimidin-4-yl]-thiophen-2-ylmethanone;(2,6-dichloro-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone;N-[7-methyl-2-(pyridin-3-ylmethylamino)-4-(thiophene-2-carbonyl)pyrrolo[2,3-d]pyrimidin-6-yl]thiophene-2-carboxamide;2,4,6-trichloro-7-methylpyrrolo[2,3-d]pyrimidine;2,4,6-trichloro-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 157182622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).