2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol

C8H16N6O2 — CID 90392516

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-2-8(3-15,4-16)14-7-12-5(9)11-6(10)13-7/h15-16H,2-4H2,1H3,(H5,9,10,11,12,13,14)
InChIKeyLAZATFRTGZRFPH-UHFFFAOYSA-N
MW228.26 g/mol
LogP-1.42
Rot. Bonds5

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol

2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol (PubChem CID 90392516) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
PubChem CID90392516
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O2/c1-2-8(3-15,4-16)14-7-12-5(9)11-6(10)13-7/h15-16H,2-4H2,1H3,(H5,9,10,11,12,13,14)
InChIKeyLAZATFRTGZRFPH-UHFFFAOYSA-N
XLogP-1.42
TPSA143.20 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-1.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol (CID 90392516) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1nc(N)nc(N)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is LAZATFRTGZRFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-2-8(3-15,4-16)14-7-12-5(9)11-6(10)13-7/h15-16H,2-4H2,1H3,(H5,9,10,11,12,13,14).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 228.26 g/mol, XLogP of -1.42, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 90392516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).