4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride

C107H103Cl4N41O11 — CID 161397979

IUPAC4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride
SMILESCc1cc(Cl)nc(N)n1.Cc1cc(Nc2ccc(CC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(N)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc([N+](=O)[O-])cn2)nc(N)n1.Cc1ccc([N+](=O)[O-])cc1.Cl.Cl.Clc1ccnc2ccccc12.Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C27H23N7O.C17H15N7O3.C17H17N7O.C10H10N6O2.C10H12N6.C9H6ClN.C7H7NO2.C5H6ClN3.C5H5N3O2.2ClH/c1-17-14-26(34-27(28)31-17)33-25-11-6-18(16-30-25)15-24(35)19-7-9-20(10-8-19)32-23-12-13-29-22-5-3-2-4-21(22)23;1-10-8-15(23-17(18)20-10)22-14-7-4-12(9-19-14)21-16(25)11-2-5-13(6-3-11)24(26)27;1-10-8-15(24-17(19)21-10)23-14-7-6-13(9-20-14)22-16(25)11-2-4-12(18)5-3-11;1-6-4-9(15-10(11)13-6)14-8-3-2-7(5-12-8)16(17)18;1-6-4-9(16-10(12)14-6)15-8-3-2-7(11)5-13-8;10-8-5-6-11-9-4-2-1-3-7(8)9;1-6-2-4-7(5-3-6)8(9)10;1-3-2-4(6)9-5(7)8-3;6-5-2-1-4(3-7-5)8(9)10;;/h2-14,16H,15H2,1H3,(H,29,32)(H3,28,30,31,33,34);2-9H,1H3,(H,21,25)(H3,18,19,20,22,23);2-9H,18H2,1H3,(H,22,25)(H3,19,20,21,23,24);2-5H,1H3,(H3,11,12,13,14,15);2-5H,11H2,1H3,(H3,12,13,14,15,16);1-6H;2-5H,1H3;2H,1H3,(H2,7,8,9);1-3H,(H2,6,7);2*1H
InChIKeyXWDZKXMNWOVQKG-UHFFFAOYSA-N
MW2281.09 g/mol
LogP19.96
Rot. Bonds23

About 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride

4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride (PubChem CID 161397979) has the molecular formula C107H103Cl4N41O11 and a molecular weight of 2281.09 g/mol. Its IUPAC name is 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride
PubChem CID161397979
Molecular FormulaC107H103Cl4N41O11
Molecular Weight2281.09 g/mol
Exact Mass2277.75
IUPAC Name4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride
SMILESCc1cc(Cl)nc(N)n1.Cc1cc(Nc2ccc(CC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(N)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc([N+](=O)[O-])cn2)nc(N)n1.Cc1ccc([N+](=O)[O-])cc1.Cl.Cl.Clc1ccnc2ccccc12.Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C27H23N7O.C17H15N7O3.C17H17N7O.C10H10N6O2.C10H12N6.C9H6ClN.C7H7NO2.C5H6ClN3.C5H5N3O2.2ClH/c1-17-14-26(34-27(28)31-17)33-25-11-6-18(16-30-25)15-24(35)19-7-9-20(10-8-19)32-23-12-13-29-22-5-3-2-4-21(22)23;1-10-8-15(23-17(18)20-10)22-14-7-4-12(9-19-14)21-16(25)11-2-5-13(6-3-11)24(26)27;1-10-8-15(24-17(19)21-10)23-14-7-6-13(9-20-14)22-16(25)11-2-4-12(18)5-3-11;1-6-4-9(15-10(11)13-6)14-8-3-2-7(5-12-8)16(17)18;1-6-4-9(16-10(12)14-6)15-8-3-2-7(11)5-13-8;10-8-5-6-11-9-4-2-1-3-7(8)9;1-6-2-4-7(5-3-6)8(9)10;1-3-2-4(6)9-5(7)8-3;6-5-2-1-4(3-7-5)8(9)10;;/h2-14,16H,15H2,1H3,(H,29,32)(H3,28,30,31,33,34);2-9H,1H3,(H,21,25)(H3,18,19,20,22,23);2-9H,18H2,1H3,(H,22,25)(H3,19,20,21,23,24);2-5H,1H3,(H3,11,12,13,14,15);2-5H,11H2,1H3,(H3,12,13,14,15,16);1-6H;2-5H,1H3;2H,1H3,(H2,7,8,9);1-3H,(H2,6,7);2*1H
InChIKeyXWDZKXMNWOVQKG-UHFFFAOYSA-N
XLogP19.96
TPSA811.99 Ų
H-Bond Donors17
H-Bond Acceptors46
Rotatable Bonds23
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002281.09
LogP ≤ 519.96
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride?
The IUPAC name of 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride (CID 161397979) is 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride.
What is the SMILES notation for 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride?
The canonical SMILES for 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride is Cc1cc(Cl)nc(N)n1.Cc1cc(Nc2ccc(CC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(N)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc([N+](=O)[O-])cn2)nc(N)n1.Cc1ccc([N+](=O)[O-])cc1.Cl.Cl.Clc1ccnc2ccccc12.Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride?
The InChIKey is XWDZKXMNWOVQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O.C17H15N7O3.C17H17N7O.C10H10N6O2.C10H12N6.C9H6ClN.C7H7NO2.C5H6ClN3.C5H5N3O2.2ClH/c1-17-14-26(34-27(28)31-17)33-25-11-6-18(16-30-25)15-24(35)19-7-9-20(10-8-19)32-23-12-13-29-22-5-3-2-4-21(22)23;1-10-8-15(23-17(18)20-10)22-14-7-4-12(9-19-14)21-16(25)11-2-5-13(6-3-11)24(26)27;1-10-8-15(24-17(19)21-10)23-14-7-6-13(9-20-14)22-16(25)11-2-4-12(18)5-3-11;1-6-4-9(15-10(11)13-6)14-8-3-2-7(5-12-8)16(17)18;1-6-4-9(16-10(12)14-6)15-8-3-2-7(11)5-13-8;10-8-5-6-11-9-4-2-1-3-7(8)9;1-6-2-4-7(5-3-6)8(9)10;1-3-2-4(6)9-5(7)8-3;6-5-2-1-4(3-7-5)8(9)10;;/h2-14,16H,15H2,1H3,(H,29,32)(H3,28,30,31,33,34);2-9H,1H3,(H,21,25)(H3,18,19,20,22,23);2-9H,18H2,1H3,(H,22,25)(H3,19,20,21,23,24);2-5H,1H3,(H3,11,12,13,14,15);2-5H,11H2,1H3,(H3,12,13,14,15,16);1-6H;2-5H,1H3;2H,1H3,(H2,7,8,9);1-3H,(H2,6,7);2*1H.
What are the key properties of 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride?
4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride has a molecular weight of 2281.09 g/mol, XLogP of 19.96, 23 rotatable bonds, 17 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;2-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-1-[4-(quinolin-4-ylamino)phenyl]ethanone;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;1-methyl-4-nitrobenzene;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;5-nitropyridin-2-amine;dihydrochloride is sourced from PubChem (CID 161397979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).