4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C17H25N5O — CID 89303296

IUPAC4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(C)c1nc(OCC(=C)C)nc(N(CC=C)CC=C)n1
InChIInChI=1S/C17H25N5O/c1-7-10-21(6)15-18-16(22(11-8-2)12-9-3)20-17(19-15)23-13-14(4)5/h7-9H,1-4,10-13H2,5-6H3
InChIKeyIVRKEQXOPLHFFO-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.63
Rot. Bonds11

About 4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine

4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 89303296) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID89303296
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(C)c1nc(OCC(=C)C)nc(N(CC=C)CC=C)n1
InChIInChI=1S/C17H25N5O/c1-7-10-21(6)15-18-16(22(11-8-2)12-9-3)20-17(19-15)23-13-14(4)5/h7-9H,1-4,10-13H2,5-6H3
InChIKeyIVRKEQXOPLHFFO-UHFFFAOYSA-N
XLogP2.63
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(allyloxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 1819021
6-(allyloxy)-N'-ethyl-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 2055870
4-Methoxy-6-prop-2-enyloxy-2-pyrrolidinyl-1,3,5-triazine
CID 4020909
2-(4-Methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 20520714
2-N,2-N,6-N-trimethoxy-4-N-(1-methoxyprop-2-enyl)-6-N-methyl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 54025885
6-methoxy-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89284237
6-(2-methylprop-2-enoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303268
6-prop-2-enoxy-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303275
N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 89303278
N-methyl-4,6-bis(2-methylprop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 89303283
4-N-methyl-6-prop-2-enoxy-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303286
6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303297

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 89303296) is 4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCN(C)c1nc(OCC(=C)C)nc(N(CC=C)CC=C)n1.
What is the InChIKey of 4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IVRKEQXOPLHFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-7-10-21(6)15-18-16(22(11-8-2)12-9-3)20-17(19-15)23-13-14(4)5/h7-9H,1-4,10-13H2,5-6H3.
What are the key properties of 4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 315.42 g/mol, XLogP of 2.63, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 89303296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).