2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine

C16H30N6O — CID 5030687

IUPAC2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCNc1nc(NCCC)nc(N2CCOCC2)n1
InChIInChI=1S/C16H30N6O/c1-3-5-6-7-9-18-15-19-14(17-8-4-2)20-16(21-15)22-10-12-23-13-11-22/h3-13H2,1-2H3,(H2,17,18,19,20,21)
InChIKeySFPBMMPOGPHILV-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.52
Rot. Bonds10

About 2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 5030687) has the molecular formula C16H30N6O and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID5030687
Molecular FormulaC16H30N6O
Molecular Weight322.46 g/mol
Exact Mass322.25
IUPAC Name2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCNc1nc(NCCC)nc(N2CCOCC2)n1
InChIInChI=1S/C16H30N6O/c1-3-5-6-7-9-18-15-19-14(17-8-4-2)20-16(21-15)22-10-12-23-13-11-22/h3-13H2,1-2H3,(H2,17,18,19,20,21)
InChIKeySFPBMMPOGPHILV-UHFFFAOYSA-N
XLogP2.52
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

(4-Chloro-6-morpholin-4-yl-[1,3,5]triazin-2-yl)-cyclopentyl-amine
CID 790425
4-methoxy-N-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976569
4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
{[4-(Methylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 2217945
N-cyclopentyl-6-(morpholin-4-yl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 672863
[4-Chloro-6-(octylamino)(1,3,5-triazin-2-yl)](2-morpholin-4-ylethyl)amine
CID 3117169
N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 767098
s-Triazine, 2,4-bis(methylamino)-6-morpholino-
CID 204412
6-Chloro-N4-[2-(morpholin-4-YL)ethyl]-N2,N2-dipropyl-1,3,5-triazine-2,4-diamine
CID 783135
N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 3605435
s-Triazine, 2,4-bis(methylamino)-6-morpholino-, hydrochloride
CID 204413
N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
CID 2190697

Frequently Asked Questions

What is the IUPAC name of 2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 5030687) is 2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCCCCNc1nc(NCCC)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SFPBMMPOGPHILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O/c1-3-5-6-7-9-18-15-19-14(17-8-4-2)20-16(21-15)22-10-12-23-13-11-22/h3-13H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 322.46 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hexyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 5030687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).