2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol

C11H16F3N3O2 — CID 102719042

IUPAC2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
SMILESCNc1cc(C(F)(F)F)cc(NC(C)(CO)CO)n1
InChIInChI=1S/C11H16F3N3O2/c1-10(5-18,6-19)17-9-4-7(11(12,13)14)3-8(15-2)16-9/h3-4,18-19H,5-6H2,1-2H3,(H2,15,16,17)
InChIKeyYQOJNYLVDLMDPS-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.30
Rot. Bonds5

About 2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol

2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol (PubChem CID 102719042) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
PubChem CID102719042
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol
SMILESCNc1cc(C(F)(F)F)cc(NC(C)(CO)CO)n1
InChIInChI=1S/C11H16F3N3O2/c1-10(5-18,6-19)17-9-4-7(11(12,13)14)3-8(15-2)16-9/h3-4,18-19H,5-6H2,1-2H3,(H2,15,16,17)
InChIKeyYQOJNYLVDLMDPS-UHFFFAOYSA-N
XLogP1.30
TPSA77.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol (CID 102719042) is 2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol is CNc1cc(C(F)(F)F)cc(NC(C)(CO)CO)n1.
What is the InChIKey of 2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol?
The InChIKey is YQOJNYLVDLMDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-10(5-18,6-19)17-9-4-7(11(12,13)14)3-8(15-2)16-9/h3-4,18-19H,5-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol?
2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol has a molecular weight of 279.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,3-diol is sourced from PubChem (CID 102719042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).