6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine

C16H31N7O — CID 7589303

IUPAC6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCCN2CCOCC2)nc(NC(C)C)n1
InChIInChI=1S/C16H31N7O/c1-12(2)18-15-20-14(21-16(22-15)19-13(3)4)17-6-5-7-23-8-10-24-11-9-23/h12-13H,5-11H2,1-4H3,(H3,17,18,19,20,21,22)
InChIKeyVJTBLNXYWOIEHQ-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.65
Rot. Bonds9

About 6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine

6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 7589303) has the molecular formula C16H31N7O and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID7589303
Molecular FormulaC16H31N7O
Molecular Weight337.47 g/mol
Exact Mass337.26
IUPAC Name6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCCN2CCOCC2)nc(NC(C)C)n1
InChIInChI=1S/C16H31N7O/c1-12(2)18-15-20-14(21-16(22-15)19-13(3)4)17-6-5-7-23-8-10-24-11-9-23/h12-13H,5-11H2,1-4H3,(H3,17,18,19,20,21,22)
InChIKeyVJTBLNXYWOIEHQ-UHFFFAOYSA-N
XLogP1.65
TPSA87.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine (CID 7589303) is 6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(NCCCN2CCOCC2)nc(NC(C)C)n1.
What is the InChIKey of 6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VJTBLNXYWOIEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N7O/c1-12(2)18-15-20-14(21-16(22-15)19-13(3)4)17-6-5-7-23-8-10-24-11-9-23/h12-13H,5-11H2,1-4H3,(H3,17,18,19,20,21,22).
What are the key properties of 6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 337.47 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 7589303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).