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

C12H24N6O — CID 70994622

IUPAC5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
SMILESCCCCNc1nc(N)nc(NCCCCCO)n1
InChIInChI=1S/C12H24N6O/c1-2-3-7-14-11-16-10(13)17-12(18-11)15-8-5-4-6-9-19/h19H,2-9H2,1H3,(H4,13,14,15,16,17,18)
InChIKeyKXBATEOYECCHTQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.24
Rot. Bonds10

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

5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol (PubChem CID 70994622) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
PubChem CID70994622
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
SMILESCCCCNc1nc(N)nc(NCCCCCO)n1
InChIInChI=1S/C12H24N6O/c1-2-3-7-14-11-16-10(13)17-12(18-11)15-8-5-4-6-9-19/h19H,2-9H2,1H3,(H4,13,14,15,16,17,18)
InChIKeyKXBATEOYECCHTQ-UHFFFAOYSA-N
XLogP1.24
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The IUPAC name of 5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol (CID 70994622) is 5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The canonical SMILES for 5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol is CCCCNc1nc(N)nc(NCCCCCO)n1.
What is the InChIKey of 5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
The InChIKey is KXBATEOYECCHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-2-3-7-14-11-16-10(13)17-12(18-11)15-8-5-4-6-9-19/h19H,2-9H2,1H3,(H4,13,14,15,16,17,18).
What are the key properties of 5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol?
5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 1.24, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol is sourced from PubChem (CID 70994622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).