4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine

C8H8Cl2N4O — CID 89167615

IUPAC4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCC2CC=CO2)n1
InChIInChI=1S/C8H8Cl2N4O/c9-6-12-7(10)14-8(13-6)11-4-5-2-1-3-15-5/h1,3,5H,2,4H2,(H,11,12,13,14)
InChIKeyWQPIJZKSBDLIMY-UHFFFAOYSA-N
MW247.08 g/mol
LogP1.89
Rot. Bonds3

About 4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 89167615) has the molecular formula C8H8Cl2N4O and a molecular weight of 247.08 g/mol. Its IUPAC name is 4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID89167615
Molecular FormulaC8H8Cl2N4O
Molecular Weight247.08 g/mol
Exact Mass246.01
IUPAC Name4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCC2CC=CO2)n1
InChIInChI=1S/C8H8Cl2N4O/c9-6-12-7(10)14-8(13-6)11-4-5-2-1-3-15-5/h1,3,5H,2,4H2,(H,11,12,13,14)
InChIKeyWQPIJZKSBDLIMY-UHFFFAOYSA-N
XLogP1.89
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine (CID 89167615) is 4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(NCC2CC=CO2)n1.
What is the InChIKey of 4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is WQPIJZKSBDLIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4O/c9-6-12-7(10)14-8(13-6)11-4-5-2-1-3-15-5/h1,3,5H,2,4H2,(H,11,12,13,14).
What are the key properties of 4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 247.08 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 89167615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).