5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol

C13H26N6O — CID 106138250

IUPAC5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
SMILESCCCNc1nc(NCCCC(C)O)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-5-8-14-11-16-12(15-9-6-7-10(2)20)18-13(17-11)19(3)4/h10,20H,5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyNDPUQNAGNXBOML-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.33
Rot. Bonds9

About 5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol

5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol (PubChem CID 106138250) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
PubChem CID106138250
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
SMILESCCCNc1nc(NCCCC(C)O)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-5-8-14-11-16-12(15-9-6-7-10(2)20)18-13(17-11)19(3)4/h10,20H,5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyNDPUQNAGNXBOML-UHFFFAOYSA-N
XLogP1.33
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol with MolForge

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Related Compounds

2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
2-N,2-N-dimethyl-4-N-(3-methylpentan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80802969
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80787461
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 80802978
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
2-N,2-N,6-N-trimethyl-4-N-(7-methyloctyl)-1,3,5-triazine-2,4,6-triamine
CID 107818936
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643
N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80775196
5-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138247
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The IUPAC name of 5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol (CID 106138250) is 5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The canonical SMILES for 5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol is CCCNc1nc(NCCCC(C)O)nc(N(C)C)n1.
What is the InChIKey of 5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol?
The InChIKey is NDPUQNAGNXBOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-5-8-14-11-16-12(15-9-6-7-10(2)20)18-13(17-11)19(3)4/h10,20H,5-9H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol?
5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol has a molecular weight of 282.39 g/mol, XLogP of 1.33, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol is sourced from PubChem (CID 106138250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).