4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine

C12H19ClN4O2 — CID 83028910

IUPAC4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-4-18-11-16-9(13)15-10(17-11)14-8-5-6-19-12(2,3)7-8/h8H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyQTMLUZSYTUYVHE-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.29
Rot. Bonds4

About 4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine

4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 83028910) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID83028910
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-4-18-11-16-9(13)15-10(17-11)14-8-5-6-19-12(2,3)7-8/h8H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyQTMLUZSYTUYVHE-UHFFFAOYSA-N
XLogP2.29
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine (CID 83028910) is 4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NC2CCOC(C)(C)C2)n1.
What is the InChIKey of 4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is QTMLUZSYTUYVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-4-18-11-16-9(13)15-10(17-11)14-8-5-6-19-12(2,3)7-8/h8H,4-7H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine?
4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 286.76 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethyloxan-4-yl)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 83028910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).