2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine

C12H24N6O — CID 123408830

IUPAC2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCCC)nc(NOCCC)n1
InChIInChI=1S/C12H24N6O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-19-9-6-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyDBFSTWJFYODHMK-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.27
Rot. Bonds10

About 2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine

2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 123408830) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
PubChem CID123408830
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NCCC)nc(NOCCC)n1
InChIInChI=1S/C12H24N6O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-19-9-6-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyDBFSTWJFYODHMK-UHFFFAOYSA-N
XLogP2.27
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 57378018
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N-propan-2-yl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80765182
2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 118432263
4-(3,3-dimethylbutoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871739
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702
2-N-(3,3-dimethylbutan-2-yl)-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 104830619
methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80775157
4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80876867
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
6-chloro-2-N-(2-ethoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80792148
6-ethoxy-2-N-[2-[ethyl(methyl)amino]ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80832327

Frequently Asked Questions

What is the IUPAC name of 2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine (CID 123408830) is 2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(NCCC)nc(NOCCC)n1.
What is the InChIKey of 2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DBFSTWJFYODHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-4-7-13-10-15-11(14-8-5-2)17-12(16-10)18-19-9-6-3/h4-9H2,1-3H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 268.36 g/mol, XLogP of 2.27, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 123408830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).