1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine

C65H76ClF3I3N15O16 — CID 159282934

IUPAC1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine
SMILESC.C.C.CC(C)(C)OCCON.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)[nH]cnc21.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCO)cnc21.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCOC(C)(C)C)cnc21.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H22FIN4O4.C16H14FIN4O4.C14H10FIN4O2.C6H3ClN2O4.C6H15NO2.3CH4/c1-20(2,3)29-7-8-30-26-11-23-18-17(19(26)28)15(10-16(27)25(18)4)24-14-6-5-12(22)9-13(14)21;1-21-13(24)7-12(20-11-3-2-9(18)6-10(11)17)14-15(21)19-8-22(16(14)25)26-5-4-23;1-20-11(21)5-10(12-13(20)17-6-18-14(12)22)19-9-3-2-7(16)4-8(9)15;7-5-2-1-4(8(10)11)3-6(5)9(12)13;1-6(2,3)8-4-5-9-7;;;/h5-6,9-11,24H,7-8H2,1-4H3;2-3,6-8,20,23H,4-5H2,1H3;2-6,19H,1H3,(H,17,18,22);1-3H;4-5,7H2,1-3H3;3*1H4
InChIKeyKZDNVVUTTXCUOK-UHFFFAOYSA-N
MW1796.57 g/mol
LogP10.70
Rot. Bonds18

About 1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine

1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine (PubChem CID 159282934) has the molecular formula C65H76ClF3I3N15O16 and a molecular weight of 1796.57 g/mol. Its IUPAC name is 1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine.

Molecular Properties

Compound Name1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine
PubChem CID159282934
Molecular FormulaC65H76ClF3I3N15O16
Molecular Weight1796.57 g/mol
Exact Mass1795.24
IUPAC Name1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine
SMILESC.C.C.CC(C)(C)OCCON.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)[nH]cnc21.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCO)cnc21.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCOC(C)(C)C)cnc21.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H22FIN4O4.C16H14FIN4O4.C14H10FIN4O2.C6H3ClN2O4.C6H15NO2.3CH4/c1-20(2,3)29-7-8-30-26-11-23-18-17(19(26)28)15(10-16(27)25(18)4)24-14-6-5-12(22)9-13(14)21;1-21-13(24)7-12(20-11-3-2-9(18)6-10(11)17)14-15(21)19-8-22(16(14)25)26-5-4-23;1-20-11(21)5-10(12-13(20)17-6-18-14(12)22)19-9-3-2-7(16)4-8(9)15;7-5-2-1-4(8(10)11)3-6(5)9(12)13;1-6(2,3)8-4-5-9-7;;;/h5-6,9-11,24H,7-8H2,1-4H3;2-3,6-8,20,23H,4-5H2,1H3;2-6,19H,1H3,(H,17,18,22);1-3H;4-5,7H2,1-3H3;3*1H4
InChIKeyKZDNVVUTTXCUOK-UHFFFAOYSA-N
XLogP10.70
TPSA396.30 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001796.57
LogP ≤ 510.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine with MolForge

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Related Compounds

3-(2-aminoethoxy)-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 24966788
6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione
CID 143711373
methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate
CID 143711375
ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711337
6-chloro-5-(2-fluoro-4-iodoanilino)-3-(2-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 24967881
5-(2-fluoro-4-iodoanilino)-1,8-dimethyl-4,7-dioxo-1,8-naphthyridine-3-carboxylic acid
CID 25072121
N-(2-fluoro-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605418
3-[(2R)-2,3-dihydroxypropoxy]-5-(2-fluoro-4-iodoanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one
CID 89256850
3-(2,4-dinitroanilino)-2,2-difluoropropan-1-ol
CID 104858610
5-chloro-4-(2-fluoro-4-iodoanilino)-1-(iodomethyl)-6-oxopyridazine-3-carboxamide
CID 67381015
1-N-(2,4-dinitrophenyl)-2-methylpropane-1,2-diamine
CID 78954587
N-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,4-dimethylpyrrole-3-carboxamide
CID 90858470

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine?
The IUPAC name of 1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine (CID 159282934) is 1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine.
What is the SMILES notation for 1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine?
The canonical SMILES for 1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine is C.C.C.CC(C)(C)OCCON.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)[nH]cnc21.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCO)cnc21.Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(OCCOC(C)(C)C)cnc21.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine?
The InChIKey is KZDNVVUTTXCUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FIN4O4.C16H14FIN4O4.C14H10FIN4O2.C6H3ClN2O4.C6H15NO2.3CH4/c1-20(2,3)29-7-8-30-26-11-23-18-17(19(26)28)15(10-16(27)25(18)4)24-14-6-5-12(22)9-13(14)21;1-21-13(24)7-12(20-11-3-2-9(18)6-10(11)17)14-15(21)19-8-22(16(14)25)26-5-4-23;1-20-11(21)5-10(12-13(20)17-6-18-14(12)22)19-9-3-2-7(16)4-8(9)15;7-5-2-1-4(8(10)11)3-6(5)9(12)13;1-6(2,3)8-4-5-9-7;;;/h5-6,9-11,24H,7-8H2,1-4H3;2-3,6-8,20,23H,4-5H2,1H3;2-6,19H,1H3,(H,17,18,22);1-3H;4-5,7H2,1-3H3;3*1H4.
What are the key properties of 1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine?
1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine has a molecular weight of 1796.57 g/mol, XLogP of 10.70, 18 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-dinitrobenzene;5-(2-fluoro-4-iodoanilino)-3-(2-hydroxyethoxy)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrido[2,3-d]pyrimidine-4,7-dione;5-(2-fluoro-4-iodoanilino)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione;methane;O-[2-[(2-methylpropan-2-yl)oxy]ethyl]hydroxylamine is sourced from PubChem (CID 159282934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).