2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol

C11H20N4O3 — CID 55133573

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C11H20N4O3/c1-5-11(6-2,7-16)15-8-12-9(17-3)14-10(13-8)18-4/h16H,5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyMPWWNYOOUAAOKR-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.85
Rot. Bonds7

About 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (PubChem CID 55133573) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
PubChem CID55133573
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C11H20N4O3/c1-5-11(6-2,7-16)15-8-12-9(17-3)14-10(13-8)18-4/h16H,5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyMPWWNYOOUAAOKR-UHFFFAOYSA-N
XLogP0.85
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (CID 55133573) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1nc(OC)nc(OC)n1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is MPWWNYOOUAAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-5-11(6-2,7-16)15-8-12-9(17-3)14-10(13-8)18-4/h16H,5-7H2,1-4H3,(H,12,13,14,15).
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 256.31 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 55133573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).