2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol

C13H25N5O2 — CID 80778716

IUPAC2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCCNc1nc(NC(C)(C)CO)nc(OCCC)n1
InChIInChI=1S/C13H25N5O2/c1-5-7-14-10-15-11(18-13(3,4)9-19)17-12(16-10)20-8-6-2/h19H,5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyYZROPDSITAOYAC-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.67
Rot. Bonds9

About 2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol

2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 80778716) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID80778716
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCCNc1nc(NC(C)(C)CO)nc(OCCC)n1
InChIInChI=1S/C13H25N5O2/c1-5-7-14-10-15-11(18-13(3,4)9-19)17-12(16-10)20-8-6-2/h19H,5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyYZROPDSITAOYAC-UHFFFAOYSA-N
XLogP1.67
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 80778716) is 2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is CCCNc1nc(NC(C)(C)CO)nc(OCCC)n1.
What is the InChIKey of 2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is YZROPDSITAOYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-5-7-14-10-15-11(18-13(3,4)9-19)17-12(16-10)20-8-6-2/h19H,5-9H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 283.38 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 80778716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).