1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine

C47H50Cl5FN21O9Pd- — CID 158571379

IUPAC1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine
SMILESC.Clc1ncc(Cl)c(Cl)n1.NCCCc1ncccc1[N+](=O)[O-].Nc1cccnc1N1CCNC1=O.O=C1NCCN1c1ncccc1Nc1nc(Cl)ncc1Cl.O=C1NCCN1c1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1F.[CH3-].[Pd]
InChIInChI=1S/C12H10Cl2N6O.C8H8N4O3.C8H10N4O.C8H11N3O2.C5H3FN2O2.C4HCl3N2.CH4.CH3.Pd/c13-7-6-17-11(14)19-9(7)18-8-2-1-3-15-10(8)20-5-4-16-12(20)21;13-8-10-4-5-11(8)7-6(12(14)15)2-1-3-9-7;9-6-2-1-3-10-7(6)12-5-4-11-8(12)13;9-5-1-3-7-8(11(12)13)4-2-6-10-7;6-5-4(8(9)10)2-1-3-7-5;5-2-1-8-4(7)9-3(2)6;;;/h1-3,6H,4-5H2,(H,16,21)(H,17,18,19);1-3H,4-5H2,(H,10,13);1-3H,4-5,9H2,(H,11,13);2,4,6H,1,3,5,9H2;1-3H;1H;1H4;1H3;/q;;;;;;;-1;
InChIKeyBECFFUUXLJJWQW-UHFFFAOYSA-N
MW1355.74 g/mol
LogP8.70
Rot. Bonds11

About 1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine

1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine (PubChem CID 158571379) has the molecular formula C47H50Cl5FN21O9Pd- and a molecular weight of 1355.74 g/mol. Its IUPAC name is 1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine.

Molecular Properties

Compound Name1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine
PubChem CID158571379
Molecular FormulaC47H50Cl5FN21O9Pd-
Molecular Weight1355.74 g/mol
Exact Mass1352.16
IUPAC Name1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine
SMILESC.Clc1ncc(Cl)c(Cl)n1.NCCCc1ncccc1[N+](=O)[O-].Nc1cccnc1N1CCNC1=O.O=C1NCCN1c1ncccc1Nc1nc(Cl)ncc1Cl.O=C1NCCN1c1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1F.[CH3-].[Pd]
InChIInChI=1S/C12H10Cl2N6O.C8H8N4O3.C8H10N4O.C8H11N3O2.C5H3FN2O2.C4HCl3N2.CH4.CH3.Pd/c13-7-6-17-11(14)19-9(7)18-8-2-1-3-15-10(8)20-5-4-16-12(20)21;13-8-10-4-5-11(8)7-6(12(14)15)2-1-3-9-7;9-6-2-1-3-10-7(6)12-5-4-11-8(12)13;9-5-1-3-7-8(11(12)13)4-2-6-10-7;6-5-4(8(9)10)2-1-3-7-5;5-2-1-8-4(7)9-3(2)6;;;/h1-3,6H,4-5H2,(H,16,21)(H,17,18,19);1-3H,4-5H2,(H,10,13);1-3H,4-5,9H2,(H,11,13);2,4,6H,1,3,5,9H2;1-3H;1H;1H4;1H3;/q;;;;;;;-1;
InChIKeyBECFFUUXLJJWQW-UHFFFAOYSA-N
XLogP8.70
TPSA406.52 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001355.74
LogP ≤ 58.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine with MolForge

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Related Compounds

3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,5-diamine
CID 161908904
carbanide;5-chloro-4-N-[2-(dimethylamino)-3-pyridinyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;3-N-(2,5-dichloro-4-pyridinyl)-2-N,2-N-dimethylpyridine-2,3-diamine;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;4-(4-methylpiperazin-1-yl)aniline;palladium;2,4,5-trichloropyrimidine
CID 157106468
carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine
CID 157226992
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine;pyridin-3-ylmethanamine
CID 157244248
1-(3-Amino-2-pyridinyl)pyrrolidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(3-nitro-2-pyridinyl)pyrrolidin-2-one;palladium;pyrrolidin-2-one;2,4,5-trichloro-1-methylpyrimidin-1-ium
CID 157385025
carbanide;3-N-(2-chloro-5-iodopyrimidin-4-yl)-2-N,2-N-dimethylpyridine-2,3-diamine;2,4-dichloro-5-iodopyrimidine;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;N-methylmethanamine;palladium
CID 157711440
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 157748880
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]pyrimidine-4,5-diamine;(1R)-1-(5-fluoropyrimidin-2-yl)ethanamine
CID 158396311
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(2R)-3-methylbutan-2-yl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(2R)-3-methylbutan-2-yl]pyrimidine-4,5-diamine;(2R)-3-methylbutan-2-amine
CID 158899079
2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine
CID 159014474
3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-5-nitropyrimidin-4-amine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-4-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-4,5-diamine;(1S)-1-(5-fluoropyrimidin-2-yl)ethanamine
CID 159149146
N-[5-amino-2-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide;6-chloro-3-nitropyridin-2-amine;(4-fluorophenyl)boronic acid;2-(4-fluorophenyl)-5-nitropyrimidin-4-amine;N-[2-(4-fluorophenyl)-5-nitropyrimidin-4-yl]pyrrolidine-1-carboxamide;methanol;pyrrolidine
CID 159379247

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine?
The IUPAC name of 1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine (CID 158571379) is 1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine.
What is the SMILES notation for 1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine?
The canonical SMILES for 1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine is C.Clc1ncc(Cl)c(Cl)n1.NCCCc1ncccc1[N+](=O)[O-].Nc1cccnc1N1CCNC1=O.O=C1NCCN1c1ncccc1Nc1nc(Cl)ncc1Cl.O=C1NCCN1c1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1F.[CH3-].[Pd].
What is the InChIKey of 1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine?
The InChIKey is BECFFUUXLJJWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N6O.C8H8N4O3.C8H10N4O.C8H11N3O2.C5H3FN2O2.C4HCl3N2.CH4.CH3.Pd/c13-7-6-17-11(14)19-9(7)18-8-2-1-3-15-10(8)20-5-4-16-12(20)21;13-8-10-4-5-11(8)7-6(12(14)15)2-1-3-9-7;9-6-2-1-3-10-7(6)12-5-4-11-8(12)13;9-5-1-3-7-8(11(12)13)4-2-6-10-7;6-5-4(8(9)10)2-1-3-7-5;5-2-1-8-4(7)9-3(2)6;;;/h1-3,6H,4-5H2,(H,16,21)(H,17,18,19);1-3H,4-5H2,(H,10,13);1-3H,4-5,9H2,(H,11,13);2,4,6H,1,3,5,9H2;1-3H;1H;1H4;1H3;/q;;;;;;;-1;.
What are the key properties of 1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine?
1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine has a molecular weight of 1355.74 g/mol, XLogP of 8.70, 11 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine is sourced from PubChem (CID 158571379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).