2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

C12H23N5O2 — CID 80812604

IUPAC2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCCCCOC)n1
InChIInChI=1S/C12H23N5O2/c1-4-8-19-12-16-10(13-2)15-11(17-12)14-7-5-6-9-18-3/h4-9H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyDIBVXRAHUUTZCS-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.54
Rot. Bonds10

About 2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine

2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80812604) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80812604
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCCCCOC)n1
InChIInChI=1S/C12H23N5O2/c1-4-8-19-12-16-10(13-2)15-11(17-12)14-7-5-6-9-18-3/h4-9H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyDIBVXRAHUUTZCS-UHFFFAOYSA-N
XLogP1.54
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-hydrazinyl-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
CID 80932221
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80787478
4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80767949
4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80772443
4-hydrazinyl-N-(5-methylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 115327810
N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 106343315
2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80815568
4-methoxy-6-(3-methoxypropoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80866297
2-N-(1-methoxybutan-2-yl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80837026

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80812604) is 2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(NCCCCOC)n1.
What is the InChIKey of 2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is DIBVXRAHUUTZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-8-19-12-16-10(13-2)15-11(17-12)14-7-5-6-9-18-3/h4-9H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80812604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).