(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

C15H28N6O2 — CID 23758281

IUPAC(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCCNc1nc(NCC2CCCO2)nc(N[C@H](CC)CO)n1
InChIInChI=1S/C15H28N6O2/c1-3-7-16-13-19-14(17-9-12-6-5-8-23-12)21-15(20-13)18-11(4-2)10-22/h11-12,22H,3-10H2,1-2H3,(H3,16,17,18,19,20,21)/t11-,12?/m1/s1
InChIKeyQNONTMAQALFFJQ-JHJMLUEUSA-N
MW324.43 g/mol
LogP1.47
Rot. Bonds10

About (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 23758281) has the molecular formula C15H28N6O2 and a molecular weight of 324.43 g/mol. Its IUPAC name is (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID23758281
Molecular FormulaC15H28N6O2
Molecular Weight324.43 g/mol
Exact Mass324.23
IUPAC Name(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCCNc1nc(NCC2CCCO2)nc(N[C@H](CC)CO)n1
InChIInChI=1S/C15H28N6O2/c1-3-7-16-13-19-14(17-9-12-6-5-8-23-12)21-15(20-13)18-11(4-2)10-22/h11-12,22H,3-10H2,1-2H3,(H3,16,17,18,19,20,21)/t11-,12?/m1/s1
InChIKeyQNONTMAQALFFJQ-JHJMLUEUSA-N
XLogP1.47
TPSA104.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 23758281) is (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is CCCNc1nc(NCC2CCCO2)nc(N[C@H](CC)CO)n1.
What is the InChIKey of (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is QNONTMAQALFFJQ-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H28N6O2/c1-3-7-16-13-19-14(17-9-12-6-5-8-23-12)21-15(20-13)18-11(4-2)10-22/h11-12,22H,3-10H2,1-2H3,(H3,16,17,18,19,20,21)/t11-,12?/m1/s1.
What are the key properties of (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
(2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 324.43 g/mol, XLogP of 1.47, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(oxolan-2-ylmethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 23758281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).