2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

C27H42N6O6 — CID 54364643

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCN(COCC=C)c1nc(N(COCC=C)COCC=C)nc(N(COCC=C)COCC=C)n1
InChIInChI=1S/C27H42N6O6/c1-7-13-34-19-31(20-35-14-8-2)25-28-26(32(21-36-15-9-3)22-37-16-10-4)30-27(29-25)33(23-38-17-11-5)24-39-18-12-6/h7-12H,1-6,13-24H2
InChIKeyUOXUCTLEUJTRAE-UHFFFAOYSA-N
MW546.67 g/mol
LogP3.25
Rot. Bonds27

About 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 54364643) has the molecular formula C27H42N6O6 and a molecular weight of 546.67 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID54364643
Molecular FormulaC27H42N6O6
Molecular Weight546.67 g/mol
Exact Mass546.32
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCN(COCC=C)c1nc(N(COCC=C)COCC=C)nc(N(COCC=C)COCC=C)n1
InChIInChI=1S/C27H42N6O6/c1-7-13-34-19-31(20-35-14-8-2)25-28-26(32(21-36-15-9-3)22-37-16-10-4)30-27(29-25)33(23-38-17-11-5)24-39-18-12-6/h7-12H,1-6,13-24H2
InChIKeyUOXUCTLEUJTRAE-UHFFFAOYSA-N
XLogP3.25
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triallyl cyanurate
CID 7555
6-(allyloxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 1819021
2,4-Diallyloxy-6-amino-1,3,5-triazine
CID 35028
4-Allyloxy-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 610855
6-allyloxy-4-azido-N,N-dimethyl-1,3,5-triazin-2-amine
CID 129873337
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(penta-1,4-dien-3-yloxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 58418633
6-N,6-N-bis(methoxymethyl)-2-N,2-N,4-N,4-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 58418636
2,4-Bis(prop-2-enoxy)-6-propoxy-1,3,5-triazine
CID 59087621
[[4,6-Bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol;3-prop-2-enoxyprop-1-ene
CID 67920323
[[4-[Bis(hydroxymethyl)amino]-6-[hydroxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 67920324
2-N,2-N,4-N,4-N,6-N-pentakis(prop-2-enoxy)-6-N-(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 88619599
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

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 54364643) is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is C=CCOCN(COCC=C)c1nc(N(COCC=C)COCC=C)nc(N(COCC=C)COCC=C)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UOXUCTLEUJTRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N6O6/c1-7-13-34-19-31(20-35-14-8-2)25-28-26(32(21-36-15-9-3)22-37-16-10-4)30-27(29-25)33(23-38-17-11-5)24-39-18-12-6/h7-12H,1-6,13-24H2.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 546.67 g/mol, XLogP of 3.25, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 54364643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).