2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

C10H19N5O4 — CID 107855687

IUPAC2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(C)Oc1nc(N)nc(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H19N5O4/c1-6(2)19-9-13-7(11)12-8(14-9)15-10(3-16,4-17)5-18/h6,16-18H,3-5H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyMLQJGYGTTHOJOS-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.63
Rot. Bonds7

About 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107855687) has the molecular formula C10H19N5O4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107855687
Molecular FormulaC10H19N5O4
Molecular Weight273.29 g/mol
Exact Mass273.14
IUPAC Name2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCC(C)Oc1nc(N)nc(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H19N5O4/c1-6(2)19-9-13-7(11)12-8(14-9)15-10(3-16,4-17)5-18/h6,16-18H,3-5H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyMLQJGYGTTHOJOS-UHFFFAOYSA-N
XLogP-1.63
TPSA146.64 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107855687) is 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is CC(C)Oc1nc(N)nc(NC(CO)(CO)CO)n1.
What is the InChIKey of 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is MLQJGYGTTHOJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O4/c1-6(2)19-9-13-7(11)12-8(14-9)15-10(3-16,4-17)5-18/h6,16-18H,3-5H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 273.29 g/mol, XLogP of -1.63, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107855687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).