N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine

C76H160N40 — CID 176536495

IUPACN-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine
SMILESCC/N=C1\NC(C)N/C(=N\C)N1C.CCC/N=C1\NC(C)N/C(=N\C)N1C.CCCC/N=C1\NC(C)N/C(=N\C)N1C.CCCCCN(C)C1=NC(C)N/C(=N\C)N1.CCCCN(C)C1=NC(C)N/C(=N\C)N1.CCCN(C)C1=NC(C)N/C(=N\C)N1.CCN(C)C1=NC(C)N/C(=N\C)N1.[H]/N=C1\NC(C)N=C(N(C)CCCCC)N1C
InChIInChI=1S/2C11H23N5.2C10H21N5.2C9H19N5.2C8H17N5/c1-5-6-7-8-15(3)11-14-9(2)13-10(12)16(11)4;1-5-6-7-8-16(4)11-14-9(2)13-10(12-3)15-11;1-5-6-7-15(4)10-13-8(2)12-9(11-3)14-10;1-5-6-7-12-10-14-8(2)13-9(11-3)15(10)4;1-5-6-14(4)9-12-7(2)11-8(10-3)13-9;1-5-6-11-9-13-7(2)12-8(10-3)14(9)4;1-5-13(4)8-11-6(2)10-7(9-3)12-8;1-5-10-8-12-6(2)11-7(9-3)13(8)4/h9H,5-8H2,1-4H3,(H2,12,13);9H,5-8H2,1-4H3,(H2,12,13,14,15);8H,5-7H2,1-4H3,(H2,11,12,13,14);8H,5-7H2,1-4H3,(H,11,13)(H,12,14);7H,5-6H2,1-4H3,(H2,10,11,12,13);7H,5-6H2,1-4H3,(H,10,12)(H,11,13);6H,5H2,1-4H3,(H2,9,10,11,12);6H,5H2,1-4H3,(H,9,11)(H,10,12)
InChIKeyAMBQREMCOJSPRF-UHFFFAOYSA-N
MW1634.40 g/mol
LogP3.52
Rot. Bonds20

About N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine

N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine (PubChem CID 176536495) has the molecular formula C76H160N40 and a molecular weight of 1634.40 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine
PubChem CID176536495
Molecular FormulaC76H160N40
Molecular Weight1634.40 g/mol
Exact Mass1633.37
IUPAC NameN-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine
SMILESCC/N=C1\NC(C)N/C(=N\C)N1C.CCC/N=C1\NC(C)N/C(=N\C)N1C.CCCC/N=C1\NC(C)N/C(=N\C)N1C.CCCCCN(C)C1=NC(C)N/C(=N\C)N1.CCCCN(C)C1=NC(C)N/C(=N\C)N1.CCCN(C)C1=NC(C)N/C(=N\C)N1.CCN(C)C1=NC(C)N/C(=N\C)N1.[H]/N=C1\NC(C)N=C(N(C)CCCCC)N1C
InChIInChI=1S/2C11H23N5.2C10H21N5.2C9H19N5.2C8H17N5/c1-5-6-7-8-15(3)11-14-9(2)13-10(12)16(11)4;1-5-6-7-8-16(4)11-14-9(2)13-10(12-3)15-11;1-5-6-7-15(4)10-13-8(2)12-9(11-3)14-10;1-5-6-7-12-10-14-8(2)13-9(11-3)15(10)4;1-5-6-14(4)9-12-7(2)11-8(10-3)13-9;1-5-6-11-9-13-7(2)12-8(10-3)14(9)4;1-5-13(4)8-11-6(2)10-7(9-3)12-8;1-5-10-8-12-6(2)11-7(9-3)13(8)4/h9H,5-8H2,1-4H3,(H2,12,13);9H,5-8H2,1-4H3,(H2,12,13,14,15);8H,5-7H2,1-4H3,(H2,11,12,13,14);8H,5-7H2,1-4H3,(H,11,13)(H,12,14);7H,5-6H2,1-4H3,(H2,10,11,12,13);7H,5-6H2,1-4H3,(H,10,12)(H,11,13);6H,5H2,1-4H3,(H2,9,10,11,12);6H,5H2,1-4H3,(H,9,11)(H,10,12)
InChIKeyAMBQREMCOJSPRF-UHFFFAOYSA-N
XLogP3.52
TPSA418.86 Ų
H-Bond Donors16
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms116
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001634.40
LogP ≤ 53.52
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine?
The IUPAC name of N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine (CID 176536495) is N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine.
What is the SMILES notation for N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine?
The canonical SMILES for N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine is CC/N=C1\NC(C)N/C(=N\C)N1C.CCC/N=C1\NC(C)N/C(=N\C)N1C.CCCC/N=C1\NC(C)N/C(=N\C)N1C.CCCCCN(C)C1=NC(C)N/C(=N\C)N1.CCCCN(C)C1=NC(C)N/C(=N\C)N1.CCCN(C)C1=NC(C)N/C(=N\C)N1.CCN(C)C1=NC(C)N/C(=N\C)N1.[H]/N=C1\NC(C)N=C(N(C)CCCCC)N1C.
What is the InChIKey of N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine?
The InChIKey is AMBQREMCOJSPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N5.2C10H21N5.2C9H19N5.2C8H17N5/c1-5-6-7-8-15(3)11-14-9(2)13-10(12)16(11)4;1-5-6-7-8-16(4)11-14-9(2)13-10(12-3)15-11;1-5-6-7-15(4)10-13-8(2)12-9(11-3)14-10;1-5-6-7-12-10-14-8(2)13-9(11-3)15(10)4;1-5-6-14(4)9-12-7(2)11-8(10-3)13-9;1-5-6-11-9-13-7(2)12-8(10-3)14(9)4;1-5-13(4)8-11-6(2)10-7(9-3)12-8;1-5-10-8-12-6(2)11-7(9-3)13(8)4/h9H,5-8H2,1-4H3,(H2,12,13);9H,5-8H2,1-4H3,(H2,12,13,14,15);8H,5-7H2,1-4H3,(H2,11,12,13,14);8H,5-7H2,1-4H3,(H,11,13)(H,12,14);7H,5-6H2,1-4H3,(H2,10,11,12,13);7H,5-6H2,1-4H3,(H,10,12)(H,11,13);6H,5H2,1-4H3,(H2,9,10,11,12);6H,5H2,1-4H3,(H,9,11)(H,10,12).
What are the key properties of N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine?
N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine has a molecular weight of 1634.40 g/mol, XLogP of 3.52, 20 rotatable bonds, 16 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-butyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;N,2-dimethyl-6-methylimino-N-pentyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N,2-dimethyl-6-methylimino-N-propyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;N-ethyl-N,2-dimethyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-ethyl-4-N,3,6-trimethyl-1,3,5-triazinane-2,4-diimine;6-imino-N,2,5-trimethyl-N-pentyl-1,2-dihydro-1,3,5-triazin-4-amine;4-N,3,6-trimethyl-2-N-propyl-1,3,5-triazinane-2,4-diimine is sourced from PubChem (CID 176536495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).