4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine

C7H9ClN4O2 — CID 83241340

IUPAC4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2COCCO2)n1
InChIInChI=1S/C7H9ClN4O2/c8-6-10-5(11-7(9)12-6)4-3-13-1-2-14-4/h4H,1-3H2,(H2,9,10,11,12)
InChIKeyYGBOWYQRNKWQSX-UHFFFAOYSA-N
MW216.63 g/mol
LogP0.20
Rot. Bonds1

About 4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 83241340) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is 4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
PubChem CID83241340
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC Name4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2COCCO2)n1
InChIInChI=1S/C7H9ClN4O2/c8-6-10-5(11-7(9)12-6)4-3-13-1-2-14-4/h4H,1-3H2,(H2,9,10,11,12)
InChIKeyYGBOWYQRNKWQSX-UHFFFAOYSA-N
XLogP0.20
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine (CID 83241340) is 4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(C2COCCO2)n1.
What is the InChIKey of 4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is YGBOWYQRNKWQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2/c8-6-10-5(11-7(9)12-6)4-3-13-1-2-14-4/h4H,1-3H2,(H2,9,10,11,12).
What are the key properties of 4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 216.63 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1,4-dioxan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83241340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).