diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide

C73H78F2I7N18O9- — CID 157314882

IUPACdiiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide
SMILESC.C.COc1cc(C)c(Nc2ncc(NC(=O)C(C)(C)C)c(-c3cn(C)c4ccccc34)n2)cc1[N+](=O)[O-].Cc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(N)c(-c2cn(C)c3ccccc23)n1.Cc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(NC(=O)C(C)(C)C)c(-c2cn(C)c3ccccc23)n1.I[I-]I(I)I(I)I
InChIInChI=1S/C26H28N6O4.C25H25FN6O3.C20H17FN6O2.2CH4.I7/c1-15-11-22(36-6)21(32(34)35)12-18(15)29-25-27-13-19(28-24(33)26(2,3)4)23(30-25)17-14-31(5)20-10-8-7-9-16(17)20;1-14-10-17(26)21(32(34)35)11-18(14)29-24-27-12-19(28-23(33)25(2,3)4)22(30-24)16-13-31(5)20-9-7-6-8-15(16)20;1-11-7-14(21)18(27(28)29)8-16(11)24-20-23-9-15(22)19(25-20)13-10-26(2)17-6-4-3-5-12(13)17;;;1-5-7(4)6(2)3/h7-14H,1-6H3,(H,28,33)(H,27,29,30);6-13H,1-5H3,(H,28,33)(H,27,29,30);3-10H,22H2,1-2H3,(H,23,24,25);2*1H4;/q;;;;;-1
InChIKeyAHPVWRBPBJZBNZ-UHFFFAOYSA-N
MW2277.87 g/mol
LogP19.22
Rot. Bonds17

About diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide

diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide (PubChem CID 157314882) has the molecular formula C73H78F2I7N18O9- and a molecular weight of 2277.87 g/mol. Its IUPAC name is diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Namediiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide
PubChem CID157314882
Molecular FormulaC73H78F2I7N18O9-
Molecular Weight2277.87 g/mol
Exact Mass2276.95
IUPAC Namediiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide
SMILESC.C.COc1cc(C)c(Nc2ncc(NC(=O)C(C)(C)C)c(-c3cn(C)c4ccccc34)n2)cc1[N+](=O)[O-].Cc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(N)c(-c2cn(C)c3ccccc23)n1.Cc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(NC(=O)C(C)(C)C)c(-c2cn(C)c3ccccc23)n1.I[I-]I(I)I(I)I
InChIInChI=1S/C26H28N6O4.C25H25FN6O3.C20H17FN6O2.2CH4.I7/c1-15-11-22(36-6)21(32(34)35)12-18(15)29-25-27-13-19(28-24(33)26(2,3)4)23(30-25)17-14-31(5)20-10-8-7-9-16(17)20;1-14-10-17(26)21(32(34)35)11-18(14)29-24-27-12-19(28-23(33)25(2,3)4)22(30-24)16-13-31(5)20-9-7-6-8-15(16)20;1-11-7-14(21)18(27(28)29)8-16(11)24-20-23-9-15(22)19(25-20)13-10-26(2)17-6-4-3-5-12(13)17;;;1-5-7(4)6(2)3/h7-14H,1-6H3,(H,28,33)(H,27,29,30);6-13H,1-5H3,(H,28,33)(H,27,29,30);3-10H,22H2,1-2H3,(H,23,24,25);2*1H4;/q;;;;;-1
InChIKeyAHPVWRBPBJZBNZ-UHFFFAOYSA-N
XLogP19.22
TPSA351.09 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002277.87
LogP ≤ 519.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluoro-2-methoxy-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide
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N-[2-(4-fluoro-2-methoxy-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2-methylpropanamide
CID 118618204
N-[2-(4-fluoro-2-methoxy-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-N,2-dimethylpropanamide
CID 118618210
2-[3-[5-Ethyl-2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]indol-1-yl]acetamide
CID 118618547
1-[2-(4-Fluoro-2-methoxy-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-3-methylurea
CID 130218213
4-(8-ethyl-2-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-N-(2-methoxy-4-methyl-5-nitrophenyl)pyrimidin-2-amine
CID 139313541
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)-5-morpholin-4-ylpyrimidin-2-amine
CID 153406296
(E)-N-[2-[4-fluoro-5-nitro-2-(trifluoromethoxy)anilino]-4-(1-methylindol-3-yl)pyrimidin-5-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 155724533
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]-2-nitro-5-(trifluoromethoxy)benzene-1,4-diamine;N-[4-fluoro-5-nitro-2-(trifluoromethoxy)phenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine
CID 158897907
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitro-1-N-[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]benzene-1,4-diamine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-amine;methane;N,N',N'-trimethylethane-1,2-diamine
CID 159050178
3-(2-chloropyrimidin-4-yl)-1-methylindole;4-fluoro-5-nitro-2-(trifluoromethoxy)aniline;N-[4-fluoro-5-nitro-2-(trifluoromethoxy)phenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine
CID 159779462

Frequently Asked Questions

What is the IUPAC name of diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide (CID 157314882) is diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide is C.C.COc1cc(C)c(Nc2ncc(NC(=O)C(C)(C)C)c(-c3cn(C)c4ccccc34)n2)cc1[N+](=O)[O-].Cc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(N)c(-c2cn(C)c3ccccc23)n1.Cc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(NC(=O)C(C)(C)C)c(-c2cn(C)c3ccccc23)n1.I[I-]I(I)I(I)I.
What is the InChIKey of diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide?
The InChIKey is AHPVWRBPBJZBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4.C25H25FN6O3.C20H17FN6O2.2CH4.I7/c1-15-11-22(36-6)21(32(34)35)12-18(15)29-25-27-13-19(28-24(33)26(2,3)4)23(30-25)17-14-31(5)20-10-8-7-9-16(17)20;1-14-10-17(26)21(32(34)35)11-18(14)29-24-27-12-19(28-23(33)25(2,3)4)22(30-24)16-13-31(5)20-9-7-6-8-15(16)20;1-11-7-14(21)18(27(28)29)8-16(11)24-20-23-9-15(22)19(25-20)13-10-26(2)17-6-4-3-5-12(13)17;;;1-5-7(4)6(2)3/h7-14H,1-6H3,(H,28,33)(H,27,29,30);6-13H,1-5H3,(H,28,33)(H,27,29,30);3-10H,22H2,1-2H3,(H,23,24,25);2*1H4;/q;;;;;-1.
What are the key properties of diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide?
diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide has a molecular weight of 2277.87 g/mol, XLogP of 19.22, 17 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for diiodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodane;N-[2-(4-fluoro-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide;2-N-(4-fluoro-2-methyl-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidine-2,5-diamine;methane;N-[2-(4-methoxy-2-methyl-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 157314882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).