7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide

C106H94Br2Cl3F7IN27O9S3 — CID 163452541

About 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide

7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide (PubChem CID 163452541) has the molecular formula C106H94Br2Cl3F7IN27O9S3 and a molecular weight of 2512.36 g/mol. Its IUPAC name is 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide.

Molecular Properties

• Compound Name: 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide
• PubChem CID: 163452541
• Molecular Formula: C106H94Br2Cl3F7IN27O9S3
• Molecular Weight: 2512.36 g/mol
• Exact Mass: 2507.33
• IUPAC Name: 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide
• SMILES: CCc1cc(=O)n2cc(Br)cc(F)c2n1.CCc1cc(=O)n2cc(N)cc(F)c2n1.CCc1cc(=O)n2cc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc(F)c2n1.CCc1cc(=O)n2cc(NC(=O)OC(C)(C)C)cc(F)c2n1.I.Nc1ncc(Br)cc1F.[C-]#[N+]C(C)(C)Nc1cc(F)c2nc(CC)cc(=O)n2c1.[C-]#[N+]c1ccc(N=C=S)cc1Cl.[H]/N=C1/N(c2ccc(C#N)c(Cl)c2)C(=S)N(c2cc(F)c3nc(CC)cc(=O)n3c2)C1(C)C
• InChI: InChI=1S/C22H18ClFN6OS.C22H17ClFN5O2S.C15H18FN3O3.C14H15FN4O.C10H8BrFN2O.C10H10FN3O.C8H3ClN2S.C5H4BrFN2.HI/c1-4-13-7-18(31)28-11-15(9-17(24)19(28)27-13)30-21(32)29(20(26)22(30,2)3)14-6-5-12(10-25)16(23)8-14;1-4-13-7-18(30)27-11-15(9-17(24)19(27)26-13)29-21(32)28(20(31)22(29,2)3)14-6-5-12(10-25)16(23)8-14;1-5-9-7-12(20)19-8-10(6-11(16)13(19)17-9)18-14(21)22-15(2,3)4;1-5-9-7-12(20)19-8-10(18-14(2,3)16-4)6-11(15)13(19)17-9;1-2-7-4-9(15)14-5-6(11)3-8(12)10(14)13-7;1-2-7-4-9(15)14-5-6(12)3-8(11)10(14)13-7;1-10-8-3-2-6(11-5-12)4-7(8)9;6-3-1-4(7)5(8)9-2-3;/h5-9,11,26H,4H2,1-3H3;5-9,11H,4H2,1-3H3;6-8H,5H2,1-4H3,(H,18,21);6-8,18H,5H2,1-3H3;3-5H,2H2,1H3;3-5H,2,12H2,1H3;2-4H;1-2H,(H2,8,9);1H/b26-20+
• InChIKey: PBUOVEDSYFRCGS-QNYLCQBESA-N
• XLogP: 22.28
• TPSA: 444.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2512.36
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide?

The IUPAC name of 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide (CID 163452541) is 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide.

What is the SMILES notation for 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide?

The canonical SMILES for 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide is CCc1cc(=O)n2cc(Br)cc(F)c2n1.CCc1cc(=O)n2cc(N)cc(F)c2n1.CCc1cc(=O)n2cc(N3C(=S)N(c4ccc(C#N)c(Cl)c4)C(=O)C3(C)C)cc(F)c2n1.CCc1cc(=O)n2cc(NC(=O)OC(C)(C)C)cc(F)c2n1.I.Nc1ncc(Br)cc1F.[C-]#[N+]C(C)(C)Nc1cc(F)c2nc(CC)cc(=O)n2c1.[C-]#[N+]c1ccc(N=C=S)cc1Cl.[H]/N=C1/N(c2ccc(C#N)c(Cl)c2)C(=S)N(c2cc(F)c3nc(CC)cc(=O)n3c2)C1(C)C.

What is the InChIKey of 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide?

The InChIKey is PBUOVEDSYFRCGS-QNYLCQBESA-N. The full InChI is InChI=1S/C22H18ClFN6OS.C22H17ClFN5O2S.C15H18FN3O3.C14H15FN4O.C10H8BrFN2O.C10H10FN3O.C8H3ClN2S.C5H4BrFN2.HI/c1-4-13-7-18(31)28-11-15(9-17(24)19(28)27-13)30-21(32)29(20(26)22(30,2)3)14-6-5-12(10-25)16(23)8-14;1-4-13-7-18(30)27-11-15(9-17(24)19(27)26-13)29-21(32)28(20(31)22(29,2)3)14-6-5-12(10-25)16(23)8-14;1-5-9-7-12(20)19-8-10(6-11(16)13(19)17-9)18-14(21)22-15(2,3)4;1-5-9-7-12(20)19-8-10(18-14(2,3)16-4)6-11(15)13(19)17-9;1-2-7-4-9(15)14-5-6(11)3-8(12)10(14)13-7;1-2-7-4-9(15)14-5-6(12)3-8(11)10(14)13-7;1-10-8-3-2-6(11-5-12)4-7(8)9;6-3-1-4(7)5(8)9-2-3;/h5-9,11,26H,4H2,1-3H3;5-9,11H,4H2,1-3H3;6-8H,5H2,1-4H3,(H,18,21);6-8,18H,5H2,1-3H3;3-5H,2H2,1H3;3-5H,2,12H2,1H3;2-4H;1-2H,(H2,8,9);1H/b26-20+;;;;;;;;.

What are the key properties of 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide?

7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide has a molecular weight of 2512.36 g/mol, XLogP of 22.28, 14 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;7-bromo-2-ethyl-9-fluoropyrido[1,2-a]pyrimidin-4-one;5-bromo-3-fluoropyridin-2-amine;tert-butyl N-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-4-[3-(2-ethyl-9-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-5-imino-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]benzonitrile;2-chloro-1-isocyano-4-isothiocyanatobenzene;2-ethyl-9-fluoro-7-(2-isocyanopropan-2-ylamino)pyrido[1,2-a]pyrimidin-4-one;hydroiodide is sourced from PubChem (CID 163452541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).