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

C11H21N5O2 — CID 80779183

IUPAC2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCCOc1nc(NC)nc(NC(C)(C)CO)n1
InChIInChI=1S/C11H21N5O2/c1-5-6-18-10-14-8(12-4)13-9(15-10)16-11(2,3)7-17/h17H,5-7H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyIQDHUBIKXXVOSK-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.88
Rot. Bonds7

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

2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 80779183) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID80779183
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESCCCOc1nc(NC)nc(NC(C)(C)CO)n1
InChIInChI=1S/C11H21N5O2/c1-5-6-18-10-14-8(12-4)13-9(15-10)16-11(2,3)7-17/h17H,5-7H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyIQDHUBIKXXVOSK-UHFFFAOYSA-N
XLogP0.88
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.88
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-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 80779183) is 2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol is CCCOc1nc(NC)nc(NC(C)(C)CO)n1.
What is the InChIKey of 2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is IQDHUBIKXXVOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-5-6-18-10-14-8(12-4)13-9(15-10)16-11(2,3)7-17/h17H,5-7H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol?
2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 80779183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).