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

C10H19N5O2 — CID 80778433

IUPAC2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCCOc1nc(NC)nc(NC(C)(C)CO)n1
InChIInChI=1S/C10H19N5O2/c1-5-17-9-13-7(11-4)12-8(14-9)15-10(2,3)6-16/h16H,5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyNYWZIPSUXHIMJA-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.49
Rot. Bonds6

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

2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 80778433) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID80778433
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCCOc1nc(NC)nc(NC(C)(C)CO)n1
InChIInChI=1S/C10H19N5O2/c1-5-17-9-13-7(11-4)12-8(14-9)15-10(2,3)6-16/h16H,5-6H2,1-4H3,(H2,11,12,13,14,15)
InChIKeyNYWZIPSUXHIMJA-UHFFFAOYSA-N
XLogP0.49
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 80778433) is 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is CCOc1nc(NC)nc(NC(C)(C)CO)n1.
What is the InChIKey of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is NYWZIPSUXHIMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-5-17-9-13-7(11-4)12-8(14-9)15-10(2,3)6-16/h16H,5-6H2,1-4H3,(H2,11,12,13,14,15).
What are the key properties of 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 241.29 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 80778433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).