2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

C13H24ClN5O — CID 623100

IUPAC2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
InChIInChI=1S/C13H24ClN5O/c1-4-5-6-7-8-15-11-16-10(14)17-12(18-11)19-13(2,3)9-20/h20H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyJDSFSVPZISONKO-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.70
Rot. Bonds9

About 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 623100) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID623100
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC Name2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1
InChIInChI=1S/C13H24ClN5O/c1-4-5-6-7-8-15-11-16-10(14)17-12(18-11)19-13(2,3)9-20/h20H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyJDSFSVPZISONKO-UHFFFAOYSA-N
XLogP2.70
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 623100) is 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is CCCCCCNc1nc(Cl)nc(NC(C)(C)CO)n1.
What is the InChIKey of 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is JDSFSVPZISONKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5O/c1-4-5-6-7-8-15-11-16-10(14)17-12(18-11)19-13(2,3)9-20/h20H,4-9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 301.82 g/mol, XLogP of 2.70, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(hexylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 623100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).