4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine

C60H53Cl9N34O5 — CID 159453416

IUPAC4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine
SMILESC=CC(=O)Nc1ccnc(Nc2nc(Nc3cnn(C)c3)ncc2Cl)c1.Clc1ncc(Cl)c(Cl)n1.Cn1cc(N)cn1.Cn1cc(Nc2ncc(Cl)c(Nc3cc(N)ccn3)n2)cn1.Nc1cc([N+](=O)[O-])ccn1.Nc1ccnc(Nc2nc(Cl)ncc2Cl)c1.O=[N+]([O-])c1ccnc(Nc2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C16H15ClN8O.C13H13ClN8.C9H5Cl2N5O2.C9H7Cl2N5.C5H5N3O2.C4HCl3N2.C4H7N3/c1-3-14(26)21-10-4-5-18-13(6-10)23-15-12(17)8-19-16(24-15)22-11-7-20-25(2)9-11;1-22-7-9(5-18-22)19-13-17-6-10(14)12(21-13)20-11-4-8(15)2-3-16-11;10-6-4-13-9(11)15-8(6)14-7-3-5(16(17)18)1-2-12-7;10-6-4-14-9(11)16-8(6)15-7-3-5(12)1-2-13-7;6-5-3-4(8(9)10)1-2-7-5;5-2-1-8-4(7)9-3(2)6;1-7-3-4(5)2-6-7/h3-9H,1H2,2H3,(H3,18,19,21,22,23,24,26);2-7H,1H3,(H4,15,16,17,19,20,21);1-4H,(H,12,13,14,15);1-4H,(H3,12,13,14,15,16);1-3H,(H2,6,7);1H;2-3H,5H2,1H3
InChIKeyLTQXOYUXGVOIQO-UHFFFAOYSA-N
MW1649.39 g/mol
LogP13.54
Rot. Bonds16

About 4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine

4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine (PubChem CID 159453416) has the molecular formula C60H53Cl9N34O5 and a molecular weight of 1649.39 g/mol. Its IUPAC name is 4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine.

Molecular Properties

Compound Name4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine
PubChem CID159453416
Molecular FormulaC60H53Cl9N34O5
Molecular Weight1649.39 g/mol
Exact Mass1644.21
IUPAC Name4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine
SMILESC=CC(=O)Nc1ccnc(Nc2nc(Nc3cnn(C)c3)ncc2Cl)c1.Clc1ncc(Cl)c(Cl)n1.Cn1cc(N)cn1.Cn1cc(Nc2ncc(Cl)c(Nc3cc(N)ccn3)n2)cn1.Nc1cc([N+](=O)[O-])ccn1.Nc1ccnc(Nc2nc(Cl)ncc2Cl)c1.O=[N+]([O-])c1ccnc(Nc2nc(Cl)ncc2Cl)c1
InChIInChI=1S/C16H15ClN8O.C13H13ClN8.C9H5Cl2N5O2.C9H7Cl2N5.C5H5N3O2.C4HCl3N2.C4H7N3/c1-3-14(26)21-10-4-5-18-13(6-10)23-15-12(17)8-19-16(24-15)22-11-7-20-25(2)9-11;1-22-7-9(5-18-22)19-13-17-6-10(14)12(21-13)20-11-4-8(15)2-3-16-11;10-6-4-13-9(11)15-8(6)14-7-3-5(16(17)18)1-2-12-7;10-6-4-14-9(11)16-8(6)15-7-3-5(12)1-2-13-7;6-5-3-4(8(9)10)1-2-7-5;5-2-1-8-4(7)9-3(2)6;1-7-3-4(5)2-6-7/h3-9H,1H2,2H3,(H3,18,19,21,22,23,24,26);2-7H,1H3,(H4,15,16,17,19,20,21);1-4H,(H,12,13,14,15);1-4H,(H3,12,13,14,15,16);1-3H,(H2,6,7);1H;2-3H,5H2,1H3
InChIKeyLTQXOYUXGVOIQO-UHFFFAOYSA-N
XLogP13.54
TPSA538.45 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001649.39
LogP ≤ 513.54
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine with MolForge

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Related Compounds

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
4-N-(5-amino-2-fluorophenyl)-5-chloro-4-N-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-fluoro-5-nitrophenyl)-4-N-methyl-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-methylamino]-4-fluorophenyl]prop-2-enamide;2,5-dichloro-N-(2-fluoro-5-nitrophenyl)-N-methylpyrimidin-4-amine;2,5-dichloro-N-(2-fluoro-5-nitrophenyl)pyrimidin-4-amine;1-methylpyrazol-4-amine
CID 157272638
tert-butyl 4-[4-[[4-(3-aminoanilino)-5-chloropyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(3-nitroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;2,5-dichloro-N-(3-nitrophenyl)pyrimidin-4-amine
CID 157379192
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
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
4-N-(3-aminophenyl)-5-chloro-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-2,4-diamine;N-[3-[[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;5-chloro-2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-(3-nitrophenyl)pyrimidine-2,4-diamine;2,5-dichloro-N-(3-nitrophenyl)pyrimidin-4-amine;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;3-nitroaniline;prop-2-enoyl chloride;2,4,5-trichloropyrimidine;iodide
CID 158813586
5-amino-3-chloro-1-methyl-6-pyrazol-1-ylpyridin-2-one;3-chloro-1-methyl-5-nitro-6-pyrazol-1-ylpyridin-2-one;3-chloro-5-nitro-6-pyrazol-1-yl-1H-pyridin-2-one;3,6-dichloro-5-nitro-1H-pyridin-2-one;2,3,6-trichloro-5-nitropyridine;2,3,6-trichloropyridine
CID 160792030
4-N-(5-amino-2-fluorophenyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[2-fluoro-5-(methylamino)phenyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-(2-fluoro-5-nitrophenyl)-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-fluorophenyl]-N-methylprop-2-enamide;2,5-dichloro-N-(2-fluoro-5-nitrophenyl)pyrimidin-4-amine;2-fluoro-5-nitroaniline;1-methylpyrazol-4-amine;2,4,5-trichloropyrimidine
CID 161531555

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine?
The IUPAC name of 4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine (CID 159453416) is 4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine.
What is the SMILES notation for 4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine?
The canonical SMILES for 4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine is C=CC(=O)Nc1ccnc(Nc2nc(Nc3cnn(C)c3)ncc2Cl)c1.Clc1ncc(Cl)c(Cl)n1.Cn1cc(N)cn1.Cn1cc(Nc2ncc(Cl)c(Nc3cc(N)ccn3)n2)cn1.Nc1cc([N+](=O)[O-])ccn1.Nc1ccnc(Nc2nc(Cl)ncc2Cl)c1.O=[N+]([O-])c1ccnc(Nc2nc(Cl)ncc2Cl)c1.
What is the InChIKey of 4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine?
The InChIKey is LTQXOYUXGVOIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN8O.C13H13ClN8.C9H5Cl2N5O2.C9H7Cl2N5.C5H5N3O2.C4HCl3N2.C4H7N3/c1-3-14(26)21-10-4-5-18-13(6-10)23-15-12(17)8-19-16(24-15)22-11-7-20-25(2)9-11;1-22-7-9(5-18-22)19-13-17-6-10(14)12(21-13)20-11-4-8(15)2-3-16-11;10-6-4-13-9(11)15-8(6)14-7-3-5(16(17)18)1-2-12-7;10-6-4-14-9(11)16-8(6)15-7-3-5(12)1-2-13-7;6-5-3-4(8(9)10)1-2-7-5;5-2-1-8-4(7)9-3(2)6;1-7-3-4(5)2-6-7/h3-9H,1H2,2H3,(H3,18,19,21,22,23,24,26);2-7H,1H3,(H4,15,16,17,19,20,21);1-4H,(H,12,13,14,15);1-4H,(H3,12,13,14,15,16);1-3H,(H2,6,7);1H;2-3H,5H2,1H3.
What are the key properties of 4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine?
4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine has a molecular weight of 1649.39 g/mol, XLogP of 13.54, 16 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine is sourced from PubChem (CID 159453416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).