tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine

C120H136Cl3N29O16 — CID 160997887

IUPACtert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])C1.O=[N+]([O-])c1c(Cl)ncnc1Cl.O=[N+]([O-])c1c(Cl)ncnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H33N5O3.C27H32N6O4.C27H34N6O2.C18H15ClN4O2.C15H21N5O3.C4HCl2N3O2/c1-29(2,3)37-28(36)32-15-14-23(19-32)34-25(35)16-24-26(30-20-31-27(24)34)33(17-21-10-6-4-7-11-21)18-22-12-8-5-9-13-22;1-27(2,3)37-26(34)31-15-14-22(18-31)30-24-23(33(35)36)25(29-19-28-24)32(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21;1-27(2,3)35-26(34)32-15-14-22(18-32)31-24-23(28)25(30-19-29-24)33(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21;19-17-16(23(24)25)18(21-13-20-17)22(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;1-15(2,3)23-14(22)19-5-4-9(7-19)20-11(21)6-10-12(16)17-8-18-13(10)20;5-3-2(9(10)11)4(6)8-1-7-3/h4-13,20,23H,14-19H2,1-3H3;4-13,19,22H,14-18H2,1-3H3,(H,28,29,30);4-13,19,22H,14-18,28H2,1-3H3,(H,29,30,31);1-10,13H,11-12H2;8-9H,4-7H2,1-3H3,(H2,16,17,18);1H/t23-;2*22-;;9-;/m111.1./s1
InChIKeyTVMHKTUOPRTGPW-GCNFTXRPSA-N
MW2346.95 g/mol
LogP21.18
Rot. Bonds29

About tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine

tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine (PubChem CID 160997887) has the molecular formula C120H136Cl3N29O16 and a molecular weight of 2346.95 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine
PubChem CID160997887
Molecular FormulaC120H136Cl3N29O16
Molecular Weight2346.95 g/mol
Exact Mass2343.98
IUPAC Nametert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])C1.O=[N+]([O-])c1c(Cl)ncnc1Cl.O=[N+]([O-])c1c(Cl)ncnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C29H33N5O3.C27H32N6O4.C27H34N6O2.C18H15ClN4O2.C15H21N5O3.C4HCl2N3O2/c1-29(2,3)37-28(36)32-15-14-23(19-32)34-25(35)16-24-26(30-20-31-27(24)34)33(17-21-10-6-4-7-11-21)18-22-12-8-5-9-13-22;1-27(2,3)37-26(34)31-15-14-22(18-31)30-24-23(33(35)36)25(29-19-28-24)32(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21;1-27(2,3)35-26(34)32-15-14-22(18-32)31-24-23(28)25(30-19-29-24)33(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21;19-17-16(23(24)25)18(21-13-20-17)22(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;1-15(2,3)23-14(22)19-5-4-9(7-19)20-11(21)6-10-12(16)17-8-18-13(10)20;5-3-2(9(10)11)4(6)8-1-7-3/h4-13,20,23H,14-19H2,1-3H3;4-13,19,22H,14-18H2,1-3H3,(H,28,29,30);4-13,19,22H,14-18,28H2,1-3H3,(H,29,30,31);1-10,13H,11-12H2;8-9H,4-7H2,1-3H3,(H2,16,17,18);1H/t23-;2*22-;;9-;/m111.1./s1
InChIKeyTVMHKTUOPRTGPW-GCNFTXRPSA-N
XLogP21.18
TPSA531.94 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds29
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002346.95
LogP ≤ 521.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine with MolForge

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Related Compounds

Tert-butyl 4-[4-(4-aminophenyl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[4-[(2-chloro-5-nitropyrimidin-4-yl)amino]phenyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[4-[[2-[(1-methylpyrazol-4-yl)amino]-5-nitropyrimidin-4-yl]amino]phenyl]pyrazol-1-yl]piperidine-1-carboxylate;2,4-dichloro-5-nitropyrimidine;1-methylpyrazol-4-amine
CID 157177654
tert-butyl 4-[[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-[(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]piperidine-1-carboxylate;tert-butyl 4-[[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate;tert-butyl 4-[[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]piperidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;methanol;(4-methylphenyl)boronic acid
CID 157303395
tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]methylamino]piperidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(4-chlorophenyl)boronic acid;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine
CID 157700790
tert-butyl (3S)-3-[[[5-amino-4-[(3-iodophenyl)methylamino]pyrimidin-2-yl]amino]methyl]pyrrolidine-1-carboxylate;tert-butyl 3-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[[4-[(3-iodophenyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3S)-3-[[[9-[(3-iodophenyl)methyl]-8-oxo-7H-purin-2-yl]amino]methyl]pyrrolidine-1-carboxylate;carbanide;2-chloro-N-[(3-iodophenyl)methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;(3-iodophenyl)methanamine;9-[(3-iodophenyl)methyl]-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one;methanol;platinum
CID 157712663
CID 157753142
CID 157753142
N-benzyl-1-phenylmethanamine;tert-butyl N-[3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl]carbamate;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]carbamate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine;methane;(4-methylphenyl)boronic acid
CID 157757101
(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;4-N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-4-N-methyl-5-nitropyrimidine-4,6-diamine;6-chloro-5-nitropyrimidin-4-amine;3-[(3R,4R)-3-[(5,6-diaminopyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile;3-[(3R,4R)-4-methyl-3-[methyl-(6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;4-N-methyl-4-N-[(3R,4R)-4-methylpiperidin-3-yl]pyrimidine-4,5,6-triamine
CID 157863686
CID 158255331
CID 158255331
tert-butyl N-[4-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]phenyl]-N-methylcarbamate;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]phenyl]-N-methylcarbamate;tert-butyl N-[4-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-methylcarbamate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;N-methyl-4-nitroaniline
CID 158911196
tert-butyl N-[4-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]phenyl]-N-methylcarbamate;tert-butyl N-(4-aminophenyl)-N-methylcarbamate;tert-butyl N-[4-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]phenyl]-N-methylcarbamate;tert-butyl N-[4-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-N-methylcarbamate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;N-methyl-4-nitroaniline
CID 158957837
CID 159571362
CID 159571362
N-benzyl-1-phenylmethanamine;tert-butyl N-[3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-(3-aminophenyl)carbamate;tert-butyl N-[3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl N-[3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]carbamate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine
CID 159607090

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine?
The IUPAC name of tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine (CID 160997887) is tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine.
What is the SMILES notation for tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine?
The canonical SMILES for tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine is CC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](N2C(=O)Cc3c(N)ncnc32)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)C1.CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])C1.O=[N+]([O-])c1c(Cl)ncnc1Cl.O=[N+]([O-])c1c(Cl)ncnc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine?
The InChIKey is TVMHKTUOPRTGPW-GCNFTXRPSA-N. The full InChI is InChI=1S/C29H33N5O3.C27H32N6O4.C27H34N6O2.C18H15ClN4O2.C15H21N5O3.C4HCl2N3O2/c1-29(2,3)37-28(36)32-15-14-23(19-32)34-25(35)16-24-26(30-20-31-27(24)34)33(17-21-10-6-4-7-11-21)18-22-12-8-5-9-13-22;1-27(2,3)37-26(34)31-15-14-22(18-31)30-24-23(33(35)36)25(29-19-28-24)32(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21;1-27(2,3)35-26(34)32-15-14-22(18-32)31-24-23(28)25(30-19-29-24)33(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21;19-17-16(23(24)25)18(21-13-20-17)22(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;1-15(2,3)23-14(22)19-5-4-9(7-19)20-11(21)6-10-12(16)17-8-18-13(10)20;5-3-2(9(10)11)4(6)8-1-7-3/h4-13,20,23H,14-19H2,1-3H3;4-13,19,22H,14-18H2,1-3H3,(H,28,29,30);4-13,19,22H,14-18,28H2,1-3H3,(H,29,30,31);1-10,13H,11-12H2;8-9H,4-7H2,1-3H3,(H2,16,17,18);1H/t23-;2*22-;;9-;/m111.1./s1.
What are the key properties of tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine?
tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine has a molecular weight of 2346.95 g/mol, XLogP of 21.18, 29 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[5-amino-6-(dibenzylamino)pyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(4-amino-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[[6-(dibenzylamino)-5-nitropyrimidin-4-yl]amino]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[4-(dibenzylamino)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate;N,N-dibenzyl-6-chloro-5-nitropyrimidin-4-amine;4,6-dichloro-5-nitropyrimidine is sourced from PubChem (CID 160997887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).