6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine

C12H24N6O — CID 106042094

IUPAC6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCCN(C)C(C)C)nc(OC)n1
InChIInChI=1S/C12H24N6O/c1-9(2)18(4)8-6-7-14-11-15-10(13-3)16-12(17-11)19-5/h9H,6-8H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyDEJSMUXUHOHGQR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.06
Rot. Bonds8

About 6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine

6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106042094) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
PubChem CID106042094
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCCN(C)C(C)C)nc(OC)n1
InChIInChI=1S/C12H24N6O/c1-9(2)18(4)8-6-7-14-11-15-10(13-3)16-12(17-11)19-5/h9H,6-8H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyDEJSMUXUHOHGQR-UHFFFAOYSA-N
XLogP1.06
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
6-methoxy-4-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80785763
2-[3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311525
2-N-[4-(dimethylamino)butyl]-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80816661
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 62862123
6-hydrazinyl-4-N,4-N-dimethyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine
CID 106043693
6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830863
2-N-(2-butoxyethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80819040
2-N-(2,2-difluoroethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 115409503
ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]butanoate
CID 80843895
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 106842670
6-methoxy-2-N,4-N-dimethyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796703

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine (CID 106042094) is 6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine is CNc1nc(NCCCN(C)C(C)C)nc(OC)n1.
What is the InChIKey of 6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DEJSMUXUHOHGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-9(2)18(4)8-6-7-14-11-15-10(13-3)16-12(17-11)19-5/h9H,6-8H2,1-5H3,(H2,13,14,15,16,17).
What are the key properties of 6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine?
6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106042094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).