azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine

C14H30N8O — CID 91085436

IUPACazane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NC)nc(NCCCN2CCOCC2)n1.N
InChIInChI=1S/C14H27N7O.H3N/c1-3-5-16-13-18-12(15-2)19-14(20-13)17-6-4-7-21-8-10-22-11-9-21;/h3-11H2,1-2H3,(H3,15,16,17,18,19,20);1H3
InChIKeyDDLCEVYKDPPWLQ-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.03
Rot. Bonds9

About azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine

azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 91085436) has the molecular formula C14H30N8O and a molecular weight of 326.45 g/mol. Its IUPAC name is azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameazane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID91085436
Molecular FormulaC14H30N8O
Molecular Weight326.45 g/mol
Exact Mass326.25
IUPAC Nameazane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NC)nc(NCCCN2CCOCC2)n1.N
InChIInChI=1S/C14H27N7O.H3N/c1-3-5-16-13-18-12(15-2)19-14(20-13)17-6-4-7-21-8-10-22-11-9-21;/h3-11H2,1-2H3,(H3,15,16,17,18,19,20);1H3
InChIKeyDDLCEVYKDPPWLQ-UHFFFAOYSA-N
XLogP1.03
TPSA122.23 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4,6-dimethoxy-5-N-methyl-2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 143380800
6-methoxy-4-N-methyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80777051
2-N,2-N,6-N-trimethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80777256
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
4-N-hexyl-6-N-methyl-2-N-(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 167281303
6-methoxy-4-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 80830863
6-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 10785410
13-N,7-dimethyl-11-N-(3-morpholin-4-ylpropyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine
CID 176671374
N-(3-morpholin-4-ylpropyl)-2-propylpyrazolo[3,4-d]pyrimidin-6-amine
CID 141189467
6-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543599
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
4-chloro-6-methyl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 143985982

Frequently Asked Questions

What is the IUPAC name of azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 91085436) is azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(NC)nc(NCCCN2CCOCC2)n1.N.
What is the InChIKey of azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DDLCEVYKDPPWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N7O.H3N/c1-3-5-16-13-18-12(15-2)19-14(20-13)17-6-4-7-21-8-10-22-11-9-21;/h3-11H2,1-2H3,(H3,15,16,17,18,19,20);1H3.
What are the key properties of azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine?
azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 326.45 g/mol, XLogP of 1.03, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-N-methyl-2-N-(3-morpholin-4-ylpropyl)-4-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 91085436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).