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

C13H25N5O2 — CID 80778568

IUPAC2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCCNc1nc(NC(C)(C)CO)nc(OC(C)C)n1
InChIInChI=1S/C13H25N5O2/c1-6-7-14-10-15-11(18-13(4,5)8-19)17-12(16-10)20-9(2)3/h9,19H,6-8H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyTUELETFCUNFAGY-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.66
Rot. Bonds8

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

2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 80778568) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID80778568
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCCNc1nc(NC(C)(C)CO)nc(OC(C)C)n1
InChIInChI=1S/C13H25N5O2/c1-6-7-14-10-15-11(18-13(4,5)8-19)17-12(16-10)20-9(2)3/h9,19H,6-8H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyTUELETFCUNFAGY-UHFFFAOYSA-N
XLogP1.66
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 80778568) is 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is CCCNc1nc(NC(C)(C)CO)nc(OC(C)C)n1.
What is the InChIKey of 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is TUELETFCUNFAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-6-7-14-10-15-11(18-13(4,5)8-19)17-12(16-10)20-9(2)3/h9,19H,6-8H2,1-5H3,(H2,14,15,16,17,18).
What are the key properties of 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 283.38 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 80778568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).