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

C11H19ClN4O2 — CID 62858890

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCOc1nc(Cl)nc(NC(CC)(CC)CO)n1
InChIInChI=1S/C11H19ClN4O2/c1-4-11(5-2,7-17)16-9-13-8(12)14-10(15-9)18-6-3/h17H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyZXCYXHQDHSCIHU-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.89
Rot. Bonds7

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

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (PubChem CID 62858890) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
PubChem CID62858890
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCOc1nc(Cl)nc(NC(CC)(CC)CO)n1
InChIInChI=1S/C11H19ClN4O2/c1-4-11(5-2,7-17)16-9-13-8(12)14-10(15-9)18-6-3/h17H,4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyZXCYXHQDHSCIHU-UHFFFAOYSA-N
XLogP1.89
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (CID 62858890) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol is CCOc1nc(Cl)nc(NC(CC)(CC)CO)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is ZXCYXHQDHSCIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2/c1-4-11(5-2,7-17)16-9-13-8(12)14-10(15-9)18-6-3/h17H,4-7H2,1-3H3,(H,13,14,15,16).
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 274.75 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62858890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).