bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine

C114H158N52O — CID 159445691

IUPACbis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine
SMILESCc1cc(CN)ncn1.Cc1cc(N)ncn1.Cc1ccc(=O)[nH]n1.Cc1ccc(N)nn1.Cc1ccccc1CNC1=NCCN1.Cc1ccccc1CNC1=NCCN1C.Cc1cccnn1.Cc1ccnc(C#N)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(N)n1.Cc1ccnnc1.Cc1cnc(N)[nH]1.Cc1cnc[nH]1.Cc1ncc[nH]1.Cc1ncncc1CN.Cc1ncncc1N.Cc1ncncc1N(C)C.Cc1nn[nH]n1.Cn1ccnc1
InChIInChI=1S/C12H17N3.C11H15N3.C7H11N3.C7H6N2.2C6H9N3.2C6H8N2.4C5H7N3.C5H6N2O.2C5H6N2.C4H7N3.3C4H6N2.C2H4N4/c1-10-5-3-4-6-11(10)9-14-12-13-7-8-15(12)2;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-6-7(10(2)3)4-8-5-9-6;1-6-2-3-9-7(4-6)5-8;1-5-6(2-7)3-8-4-9-5;1-5-2-6(3-7)9-4-8-5;2*1-5-3-4-7-6(2)8-5;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-4-2-3-5(6)8-7-4;1-4-2-3-5(8)7-6-4;1-5-2-3-6-7-4-5;1-5-3-2-4-6-7-5;1-3-2-6-4(5)7-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-5-2-3-6-4;1-2-3-5-6-4-2/h3-6H,7-9H2,1-2H3,(H,13,14);2-5H,6-8H2,1H3,(H2,12,13,14);4-5H,1-3H3;2-4H,1H3;3-4H,2,7H2,1H3;2,4H,3,7H2,1H3;2*3-4H,1-2H3;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);2-3H,1H3,(H2,6,8);2-3H,1H3,(H,7,8);2*2-4H,1H3;2H,1H3,(H3,5,6,7);2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);1H3,(H,3,4,5,6)
InChIKeyLSSRFPNKZXRXPS-UHFFFAOYSA-N
MW2272.88 g/mol
LogP12.00
Rot. Bonds7

About bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine

bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine (PubChem CID 159445691) has the molecular formula C114H158N52O and a molecular weight of 2272.88 g/mol. Its IUPAC name is bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine.

Molecular Properties

Compound Namebis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine
PubChem CID159445691
Molecular FormulaC114H158N52O
Molecular Weight2272.88 g/mol
Exact Mass2271.39
IUPAC Namebis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine
SMILESCc1cc(CN)ncn1.Cc1cc(N)ncn1.Cc1ccc(=O)[nH]n1.Cc1ccc(N)nn1.Cc1ccccc1CNC1=NCCN1.Cc1ccccc1CNC1=NCCN1C.Cc1cccnn1.Cc1ccnc(C#N)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(N)n1.Cc1ccnnc1.Cc1cnc(N)[nH]1.Cc1cnc[nH]1.Cc1ncc[nH]1.Cc1ncncc1CN.Cc1ncncc1N.Cc1ncncc1N(C)C.Cc1nn[nH]n1.Cn1ccnc1
InChIInChI=1S/C12H17N3.C11H15N3.C7H11N3.C7H6N2.2C6H9N3.2C6H8N2.4C5H7N3.C5H6N2O.2C5H6N2.C4H7N3.3C4H6N2.C2H4N4/c1-10-5-3-4-6-11(10)9-14-12-13-7-8-15(12)2;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-6-7(10(2)3)4-8-5-9-6;1-6-2-3-9-7(4-6)5-8;1-5-6(2-7)3-8-4-9-5;1-5-2-6(3-7)9-4-8-5;2*1-5-3-4-7-6(2)8-5;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-4-2-3-5(6)8-7-4;1-4-2-3-5(8)7-6-4;1-5-2-3-6-7-4-5;1-5-3-2-4-6-7-5;1-3-2-6-4(5)7-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-5-2-3-6-4;1-2-3-5-6-4-2/h3-6H,7-9H2,1-2H3,(H,13,14);2-5H,6-8H2,1H3,(H2,12,13,14);4-5H,1-3H3;2-4H,1H3;3-4H,2,7H2,1H3;2,4H,3,7H2,1H3;2*3-4H,1-2H3;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);2-3H,1H3,(H2,6,8);2-3H,1H3,(H,7,8);2*2-4H,1H3;2H,1H3,(H3,5,6,7);2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);1H3,(H,3,4,5,6)
InChIKeyLSSRFPNKZXRXPS-UHFFFAOYSA-N
XLogP12.00
TPSA773.76 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds7
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002272.88
LogP ≤ 512.00
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

Analyze bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine?
The IUPAC name of bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine (CID 159445691) is bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine.
What is the SMILES notation for bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine?
The canonical SMILES for bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine is Cc1cc(CN)ncn1.Cc1cc(N)ncn1.Cc1ccc(=O)[nH]n1.Cc1ccc(N)nn1.Cc1ccccc1CNC1=NCCN1.Cc1ccccc1CNC1=NCCN1C.Cc1cccnn1.Cc1ccnc(C#N)c1.Cc1ccnc(C)n1.Cc1ccnc(C)n1.Cc1ccnc(N)n1.Cc1ccnnc1.Cc1cnc(N)[nH]1.Cc1cnc[nH]1.Cc1ncc[nH]1.Cc1ncncc1CN.Cc1ncncc1N.Cc1ncncc1N(C)C.Cc1nn[nH]n1.Cn1ccnc1.
What is the InChIKey of bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine?
The InChIKey is LSSRFPNKZXRXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.C11H15N3.C7H11N3.C7H6N2.2C6H9N3.2C6H8N2.4C5H7N3.C5H6N2O.2C5H6N2.C4H7N3.3C4H6N2.C2H4N4/c1-10-5-3-4-6-11(10)9-14-12-13-7-8-15(12)2;1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11;1-6-7(10(2)3)4-8-5-9-6;1-6-2-3-9-7(4-6)5-8;1-5-6(2-7)3-8-4-9-5;1-5-2-6(3-7)9-4-8-5;2*1-5-3-4-7-6(2)8-5;1-4-5(6)2-7-3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-3-7-5(6)8-4;1-4-2-3-5(6)8-7-4;1-4-2-3-5(8)7-6-4;1-5-2-3-6-7-4-5;1-5-3-2-4-6-7-5;1-3-2-6-4(5)7-3;1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-5-2-3-6-4;1-2-3-5-6-4-2/h3-6H,7-9H2,1-2H3,(H,13,14);2-5H,6-8H2,1H3,(H2,12,13,14);4-5H,1-3H3;2-4H,1H3;3-4H,2,7H2,1H3;2,4H,3,7H2,1H3;2*3-4H,1-2H3;2-3H,6H2,1H3;2*2-3H,1H3,(H2,6,7,8);2-3H,1H3,(H2,6,8);2-3H,1H3,(H,7,8);2*2-4H,1H3;2H,1H3,(H3,5,6,7);2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);1H3,(H,3,4,5,6).
What are the key properties of bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine?
bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine has a molecular weight of 2272.88 g/mol, XLogP of 12.00, 7 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylpyrimidine);5-methyl-1H-imidazol-2-amine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methyl-N-[(2-methylphenyl)methyl]-4,5-dihydroimidazol-2-amine;N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;6-methylpyridazin-3-amine;3-methylpyridazine;4-methylpyridazine;3-methyl-1H-pyridazin-6-one;4-methylpyridine-2-carbonitrile;4-methylpyrimidin-2-amine;4-methylpyrimidin-5-amine;6-methylpyrimidin-4-amine;(4-methylpyrimidin-5-yl)methanamine;(6-methylpyrimidin-4-yl)methanamine;5-methyl-2H-tetrazole;N,N,4-trimethylpyrimidin-5-amine is sourced from PubChem (CID 159445691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).