4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

C98H147ClN50O7 — CID 176532041

About 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 176532041) has the molecular formula C98H147ClN50O7 and a molecular weight of 2173.05 g/mol. Its IUPAC name is 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

• Compound Name: 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
• PubChem CID: 176532041
• Molecular Formula: C98H147ClN50O7
• Molecular Weight: 2173.05 g/mol
• Exact Mass: 2171.24
• IUPAC Name: 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
• SMILES: CC1N=C(N)N/C(=N/CCc2ccc(O)c(O)c2)N1.CC1N=C(N)N/C(=N/CCc2ccccc2)N1.CC1N=C(N)N/C(=N/CCc2ccco2)N1.CC1N=C(N)N/C(=N\CCc2ccc3c(c2)OCO3)N1.CC1N=C(N)NC(N(C)C)=N1.CC1N=C(N)NC(N)=N1.CCCC/N=C1\N=C(N)NC(C)N1.Cc1nc(N)nc(NCCc2ccco2)n1.Cc1nc(N)nc(NCCc2ccoc2)n1.Cc1nc(Nc2ccc(Cl)cc2)nc(NC(C)C)n1
• InChI: InChI=1S/C13H16ClN5.C13H17N5O2.C12H17N5O2.C12H17N5.C10H13N5O.C10H15N5O.C10H13N5O.C8H17N5.C6H13N5.C4H9N5/c1-8(2)15-12-16-9(3)17-13(19-12)18-11-6-4-10(14)5-7-11;1-8-16-12(14)18-13(17-8)15-5-4-9-2-3-10-11(6-9)20-7-19-10;1-7-15-11(13)17-12(16-7)14-5-4-8-2-3-9(18)10(19)6-8;1-9-15-11(13)17-12(16-9)14-8-7-10-5-3-2-4-6-10;1-7-13-9(11)15-10(14-7)12-4-2-8-3-5-16-6-8;2*1-7-13-9(11)15-10(14-7)12-5-4-8-3-2-6-16-8;1-3-4-5-10-8-12-6(2)11-7(9)13-8;1-4-8-5(7)10-6(9-4)11(2)3;1-2-7-3(5)9-4(6)8-2/h4-8H,1-3H3,(H2,15,16,17,18,19);2-3,6,8H,4-5,7H2,1H3,(H4,14,15,16,17,18);2-3,6-7,18-19H,4-5H2,1H3,(H4,13,14,15,16,17);2-6,9H,7-8H2,1H3,(H4,13,14,15,16,17);3,5-6H,2,4H2,1H3,(H3,11,12,13,14,15);2-3,6-7H,4-5H2,1H3,(H4,11,12,13,14,15);2-3,6H,4-5H2,1H3,(H3,11,12,13,14,15);6H,3-5H2,1-2H3,(H4,9,10,11,12,13);4H,1-3H3,(H3,7,8,9,10);2H,1H3,(H5,5,6,7,8,9)
• InChIKey: QNEYNYIEXSPSKN-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 843.31 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 47
• Rotatable Bonds: 27
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2173.05
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The IUPAC name of 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 176532041) is 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

What is the SMILES notation for 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The canonical SMILES for 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is CC1N=C(N)N/C(=N/CCc2ccc(O)c(O)c2)N1.CC1N=C(N)N/C(=N/CCc2ccccc2)N1.CC1N=C(N)N/C(=N/CCc2ccco2)N1.CC1N=C(N)N/C(=N\CCc2ccc3c(c2)OCO3)N1.CC1N=C(N)NC(N(C)C)=N1.CC1N=C(N)NC(N)=N1.CCCC/N=C1\N=C(N)NC(C)N1.Cc1nc(N)nc(NCCc2ccco2)n1.Cc1nc(N)nc(NCCc2ccoc2)n1.Cc1nc(Nc2ccc(Cl)cc2)nc(NC(C)C)n1.

What is the InChIKey of 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The InChIKey is QNEYNYIEXSPSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5.C13H17N5O2.C12H17N5O2.C12H17N5.C10H13N5O.C10H15N5O.C10H13N5O.C8H17N5.C6H13N5.C4H9N5/c1-8(2)15-12-16-9(3)17-13(19-12)18-11-6-4-10(14)5-7-11;1-8-16-12(14)18-13(17-8)15-5-4-9-2-3-10-11(6-9)20-7-19-10;1-7-15-11(13)17-12(16-7)14-5-4-8-2-3-9(18)10(19)6-8;1-9-15-11(13)17-12(16-9)14-8-7-10-5-3-2-4-6-10;1-7-13-9(11)15-10(14-7)12-4-2-8-3-5-16-6-8;2*1-7-13-9(11)15-10(14-7)12-5-4-8-3-2-6-16-8;1-3-4-5-10-8-12-6(2)11-7(9)13-8;1-4-8-5(7)10-6(9-4)11(2)3;1-2-7-3(5)9-4(6)8-2/h4-8H,1-3H3,(H2,15,16,17,18,19);2-3,6,8H,4-5,7H2,1H3,(H4,14,15,16,17,18);2-3,6-7,18-19H,4-5H2,1H3,(H4,13,14,15,16,17);2-6,9H,7-8H2,1H3,(H4,13,14,15,16,17);3,5-6H,2,4H2,1H3,(H3,11,12,13,14,15);2-3,6-7H,4-5H2,1H3,(H4,11,12,13,14,15);2-3,6H,4-5H2,1H3,(H3,11,12,13,14,15);6H,3-5H2,1-2H3,(H4,9,10,11,12,13);4H,1-3H3,(H3,7,8,9,10);2H,1H3,(H5,5,6,7,8,9).

What are the key properties of 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?

4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 2173.05 g/mol, XLogP of 3.63, 27 rotatable bonds, 28 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]benzene-1,2-diol;6-[2-(1,3-benzodioxol-5-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-butylimino-2-methyl-2,3-dihydro-1H-1,3,5-triazin-4-amine;4-N-(4-chlorophenyl)-6-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-[2-(furan-2-yl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-[2-(furan-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;2-N-[2-(furan-3-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine;4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-methyl-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 176532041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).