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

C69H83Cl6FN25O4Pd- — CID 157106468

IUPACcarbanide;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
SMILESCN(C)c1ncccc1N.CN(C)c1ncccc1Nc1cc(Cl)ncc1Cl.CN(C)c1ncccc1[N+](=O)[O-].CN1CCN(c2ccc(N)cc2)CC1.CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccnc4N(C)C)n3)cc2)CC1.Clc1ncc(Cl)c(Cl)n1.O=[N+]([O-])c1cccnc1F.[CH3-].[Pd]
InChIInChI=1S/C22H27ClN8.C12H12Cl2N4.C11H17N3.C7H9N3O2.C7H11N3.C5H3FN2O2.C4HCl3N2.CH3.Pd/c1-29(2)21-19(5-4-10-24-21)27-20-18(23)15-25-22(28-20)26-16-6-8-17(9-7-16)31-13-11-30(3)12-14-31;1-18(2)12-9(4-3-5-15-12)17-10-6-11(14)16-7-8(10)13;1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;1-9(2)7-6(10(11)12)4-3-5-8-7;1-10(2)7-6(8)4-3-5-9-7;6-5-4(8(9)10)2-1-3-7-5;5-2-1-8-4(7)9-3(2)6;;/h4-10,15H,11-14H2,1-3H3,(H2,25,26,27,28);3-7H,1-2H3,(H,16,17);2-5H,6-9,12H2,1H3;3-5H,1-2H3;3-5H,8H2,1-2H3;1-3H;1H;1H3;/q;;;;;;;-1;
InChIKeyNQQPFMUIELBFLH-UHFFFAOYSA-N
MW1664.73 g/mol
LogP14.24
Rot. Bonds14

About 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

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 (PubChem CID 157106468) has the molecular formula C69H83Cl6FN25O4Pd- and a molecular weight of 1664.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecarbanide;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
PubChem CID157106468
Molecular FormulaC69H83Cl6FN25O4Pd-
Molecular Weight1664.73 g/mol
Exact Mass1660.42
IUPAC Namecarbanide;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
SMILESCN(C)c1ncccc1N.CN(C)c1ncccc1Nc1cc(Cl)ncc1Cl.CN(C)c1ncccc1[N+](=O)[O-].CN1CCN(c2ccc(N)cc2)CC1.CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccnc4N(C)C)n3)cc2)CC1.Clc1ncc(Cl)c(Cl)n1.O=[N+]([O-])c1cccnc1F.[CH3-].[Pd]
InChIInChI=1S/C22H27ClN8.C12H12Cl2N4.C11H17N3.C7H9N3O2.C7H11N3.C5H3FN2O2.C4HCl3N2.CH3.Pd/c1-29(2)21-19(5-4-10-24-21)27-20-18(23)15-25-22(28-20)26-16-6-8-17(9-7-16)31-13-11-30(3)12-14-31;1-18(2)12-9(4-3-5-15-12)17-10-6-11(14)16-7-8(10)13;1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;1-9(2)7-6(10(11)12)4-3-5-8-7;1-10(2)7-6(8)4-3-5-9-7;6-5-4(8(9)10)2-1-3-7-5;5-2-1-8-4(7)9-3(2)6;;/h4-10,15H,11-14H2,1-3H3,(H2,25,26,27,28);3-7H,1-2H3,(H,16,17);2-5H,6-9,12H2,1H3;3-5H,1-2H3;3-5H,8H2,1-2H3;1-3H;1H;1H3;/q;;;;;;;-1;
InChIKeyNQQPFMUIELBFLH-UHFFFAOYSA-N
XLogP14.24
TPSA329.23 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001664.73
LogP ≤ 514.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

4-N-(3,4-dichlorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-nitropyrimidine-2,4-diamine
CID 52943028
5-chloro-4-N-(2-fluoro-6-nitrophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 155415553
4-N-(5-chloro-2-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22527659
4-N-(2-chloro-3-pyridinyl)-6-N-(2-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22527773
4,6-Pyrimidinediamine, N4-(5-chloro-2-pyridinyl)-5-nitro-N6-[4-(2-phenyldiazenyl)phenyl]-
CID 22529030
4,6-Pyrimidinediamine, N4-(2-chloro-3-pyridinyl)-5-nitro-N6-[4-(2-phenyldiazenyl)phenyl]-
CID 22529144
4-N-(5-chloro-2-pyridinyl)-6-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22531169
6-N-(3-chloro-4-fluorophenyl)-4-N-(5-chloro-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 22531226
N-(5-chloro-2-pyridinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22531239
N-(5-chloro-2-pyridinyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22531240
6-N-(5-chloro-2-pyridinyl)-4-N-(2,5-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22531244
4-N-(5-chloro-2-pyridinyl)-6-N-(2,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22531245

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1ncccc1N.CN(C)c1ncccc1Nc1cc(Cl)ncc1Cl.CN(C)c1ncccc1[N+](=O)[O-].CN1CCN(c2ccc(N)cc2)CC1.CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4cccnc4N(C)C)n3)cc2)CC1.Clc1ncc(Cl)c(Cl)n1.O=[N+]([O-])c1cccnc1F.[CH3-].[Pd].
What is the InChIKey of 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?
The InChIKey is NQQPFMUIELBFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN8.C12H12Cl2N4.C11H17N3.C7H9N3O2.C7H11N3.C5H3FN2O2.C4HCl3N2.CH3.Pd/c1-29(2)21-19(5-4-10-24-21)27-20-18(23)15-25-22(28-20)26-16-6-8-17(9-7-16)31-13-11-30(3)12-14-31;1-18(2)12-9(4-3-5-15-12)17-10-6-11(14)16-7-8(10)13;1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11;1-9(2)7-6(10(11)12)4-3-5-8-7;1-10(2)7-6(8)4-3-5-9-7;6-5-4(8(9)10)2-1-3-7-5;5-2-1-8-4(7)9-3(2)6;;/h4-10,15H,11-14H2,1-3H3,(H2,25,26,27,28);3-7H,1-2H3,(H,16,17);2-5H,6-9,12H2,1H3;3-5H,1-2H3;3-5H,8H2,1-2H3;1-3H;1H;1H3;/q;;;;;;;-1;.
What are the key properties of 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?
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 has a molecular weight of 1664.73 g/mol, XLogP of 14.24, 14 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157106468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).