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

C10H20N6O2 — CID 107868692

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H20N6O2/c1-4-10(5-17,6-18)15-8-12-7(11)13-9(14-8)16(2)3/h17-18H,4-6H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyRJHGODNYWXJPME-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.93
Rot. Bonds6

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol (PubChem CID 107868692) has the molecular formula C10H20N6O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
PubChem CID107868692
Molecular FormulaC10H20N6O2
Molecular Weight256.31 g/mol
Exact Mass256.16
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H20N6O2/c1-4-10(5-17,6-18)15-8-12-7(11)13-9(14-8)16(2)3/h17-18H,4-6H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyRJHGODNYWXJPME-UHFFFAOYSA-N
XLogP-0.93
TPSA120.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol (CID 107868692) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol?
The InChIKey is RJHGODNYWXJPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2/c1-4-10(5-17,6-18)15-8-12-7(11)13-9(14-8)16(2)3/h17-18H,4-6H2,1-3H3,(H3,11,12,13,14,15).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol has a molecular weight of 256.31 g/mol, XLogP of -0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107868692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).