6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine

C19H36ClN5O4 — CID 139744597

IUPAC6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOCN(COCCC)c1nc(Cl)nc(N(COCCC)COCCC)n1
InChIInChI=1S/C19H36ClN5O4/c1-5-9-26-13-24(14-27-10-6-2)18-21-17(20)22-19(23-18)25(15-28-11-7-3)16-29-12-8-4/h5-16H2,1-4H3
InChIKeyRNWOGIBMMQMWQB-UHFFFAOYSA-N
MW433.98 g/mol
LogP3.67
Rot. Bonds18

About 6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 139744597) has the molecular formula C19H36ClN5O4 and a molecular weight of 433.98 g/mol. Its IUPAC name is 6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID139744597
Molecular FormulaC19H36ClN5O4
Molecular Weight433.98 g/mol
Exact Mass433.25
IUPAC Name6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCOCN(COCCC)c1nc(Cl)nc(N(COCCC)COCCC)n1
InChIInChI=1S/C19H36ClN5O4/c1-5-9-26-13-24(14-27-10-6-2)18-21-17(20)22-19(23-18)25(15-28-11-7-3)16-29-12-8-4/h5-16H2,1-4H3
InChIKeyRNWOGIBMMQMWQB-UHFFFAOYSA-N
XLogP3.67
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N2,N2,N4,N4,N6,N6-Hexakis(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 202358
s-Triazine-1,3,5-triamine, hexakis(isopropoxymethyl)-
CID 208792
s-Triazine-1,3,5-triamine, hexakis(2-choroethoxymethyl)-
CID 3057071
s-Triazine-1,3,5-triamine, hexakis(isopentyloxymethyl)-
CID 3057111
Methanol, (4,6-bis(bis(butoxymethyl)amino)-s-triazin-2-ylimino)di-
CID 3057352
3-[[[4,6-Bis[bis(2-cyanoethoxymethyl)amino]-1,3,5-triazin-2-yl]-(2-cyanoethoxymethyl)amino]methoxy]propanenitrile
CID 435388
N~2~,N~2~,N~4~,N~4~,N~6~,N~6~-Hexakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 13160132
[[4,6-Bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol
CID 15835046
[[4,6-Bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol
CID 15835047
[[4,6-Bis[hydroxymethyl(2-methylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(2-methylpropoxymethyl)amino]methanol
CID 15835049
2-N,2-N-bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 17865452
2-N,2-N,4-N,4-N,6-N,6-N-hexakis(2-methylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 18785361

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine (CID 139744597) is 6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine is CCCOCN(COCCC)c1nc(Cl)nc(N(COCCC)COCCC)n1.
What is the InChIKey of 6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RNWOGIBMMQMWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36ClN5O4/c1-5-9-26-13-24(14-27-10-6-2)18-21-17(20)22-19(23-18)25(15-28-11-7-3)16-29-12-8-4/h5-16H2,1-4H3.
What are the key properties of 6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 433.98 g/mol, XLogP of 3.67, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N,4-N,4-N-tetrakis(propoxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139744597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).