N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane

C61H66Cl2N20O8 — CID 157326321

IUPACN-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane
SMILESC.Cc1nc(-n2ccnc2C)nc(N(C)Cc2ccccc2)c1[N+](=O)[O-].Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-].Cc1nc(N(C)Cc2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-].Cc1nc(N(C)Cc2ccccc2)nc(N(C)Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C21H23N5O2.2C17H18N6O2.C5H3Cl2N3O2.CH4/c1-16-19(26(27)28)20(24(2)14-17-10-6-4-7-11-17)23-21(22-16)25(3)15-18-12-8-5-9-13-18;1-12-15(23(24)25)16(22-10-9-18-13(22)2)20-17(19-12)21(3)11-14-7-5-4-6-8-14;1-12-15(23(24)25)16(21(3)11-14-7-5-4-6-8-14)20-17(19-12)22-10-9-18-13(22)2;1-2-3(10(11)12)4(6)9-5(7)8-2;/h4-13H,14-15H2,1-3H3;2*4-10H,11H2,1-3H3;1H3;1H4
InChIKeyBETMNLFWKGIMHP-UHFFFAOYSA-N
MW1278.24 g/mol
LogP12.25
Rot. Bonds18

About N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane

N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane (PubChem CID 157326321) has the molecular formula C61H66Cl2N20O8 and a molecular weight of 1278.24 g/mol. Its IUPAC name is N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane.

Molecular Properties

Compound NameN-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane
PubChem CID157326321
Molecular FormulaC61H66Cl2N20O8
Molecular Weight1278.24 g/mol
Exact Mass1276.47
IUPAC NameN-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane
SMILESC.Cc1nc(-n2ccnc2C)nc(N(C)Cc2ccccc2)c1[N+](=O)[O-].Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-].Cc1nc(N(C)Cc2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-].Cc1nc(N(C)Cc2ccccc2)nc(N(C)Cc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C21H23N5O2.2C17H18N6O2.C5H3Cl2N3O2.CH4/c1-16-19(26(27)28)20(24(2)14-17-10-6-4-7-11-17)23-21(22-16)25(3)15-18-12-8-5-9-13-18;1-12-15(23(24)25)16(22-10-9-18-13(22)2)20-17(19-12)21(3)11-14-7-5-4-6-8-14;1-12-15(23(24)25)16(21(3)11-14-7-5-4-6-8-14)20-17(19-12)22-10-9-18-13(22)2;1-2-3(10(11)12)4(6)9-5(7)8-2;/h4-13H,14-15H2,1-3H3;2*4-10H,11H2,1-3H3;1H3;1H4
InChIKeyBETMNLFWKGIMHP-UHFFFAOYSA-N
XLogP12.25
TPSA324.28 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.24
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane with MolForge

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Related Compounds

N'-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 18334995
N'-[4-(2-chlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 18334999
N'-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-N'-[(1,4-dimethylpiperazin-2-yl)methyl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 137633411
N'-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-N'-[2-(1-methylpyrrolidin-2-yl)ethyl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 137644556
N'-[4-(4-chlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 137653777
N'-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-N-(5-nitro-2-pyridinyl)-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 137662214
4-(3-Chloro-4-fluoro-phenyl)-6-[4-(3-methyl-5-nitro-pyridin-2-yl)-piperazin-1-yl]-2-(2-methyl-pyrrolidin-1-yl)-pyrimidine
CID 11497158
4-(3-Chloro-4-fluorophenyl)-6-[4-(3-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-2-(4-propylpiperazin-1-yl)pyrimidine
CID 11678441
1'-[6-(3-Chloro-4-fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-pyrimidin-4-yl]-3-methyl-5-nitro-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl
CID 66839117
N-[2-[[4-(2-chloro-4-fluorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[[4-(2-chloro-4-fluorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]-[2-[(5-nitro-2-pyridinyl)amino]ethyl]amino]amino]ethyl]-5-nitropyridin-2-amine
CID 87779296
2,4-dichloro-6-methyl-5-nitropyrimidine;4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 90723979
2-chloro-N-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;methane;[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
CID 158224424

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane?
The IUPAC name of N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane (CID 157326321) is N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane.
What is the SMILES notation for N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane?
The canonical SMILES for N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane is C.Cc1nc(-n2ccnc2C)nc(N(C)Cc2ccccc2)c1[N+](=O)[O-].Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-].Cc1nc(N(C)Cc2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-].Cc1nc(N(C)Cc2ccccc2)nc(N(C)Cc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane?
The InChIKey is BETMNLFWKGIMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.2C17H18N6O2.C5H3Cl2N3O2.CH4/c1-16-19(26(27)28)20(24(2)14-17-10-6-4-7-11-17)23-21(22-16)25(3)15-18-12-8-5-9-13-18;1-12-15(23(24)25)16(22-10-9-18-13(22)2)20-17(19-12)21(3)11-14-7-5-4-6-8-14;1-12-15(23(24)25)16(21(3)11-14-7-5-4-6-8-14)20-17(19-12)22-10-9-18-13(22)2;1-2-3(10(11)12)4(6)9-5(7)8-2;/h4-13H,14-15H2,1-3H3;2*4-10H,11H2,1-3H3;1H3;1H4.
What are the key properties of N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane?
N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane has a molecular weight of 1278.24 g/mol, XLogP of 12.25, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane is sourced from PubChem (CID 157326321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).