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

C8H10Cl2N4O — CID 60727030

IUPAC4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCC2CCCO2)n1
InChIInChI=1S/C8H10Cl2N4O/c9-6-12-7(10)14-8(13-6)11-4-5-2-1-3-15-5/h5H,1-4H2,(H,11,12,13,14)
InChIKeySSYGLIPLCLNTLR-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.77
Rot. Bonds3

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

4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 60727030) has the molecular formula C8H10Cl2N4O and a molecular weight of 249.10 g/mol. Its IUPAC name is 4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID60727030
Molecular FormulaC8H10Cl2N4O
Molecular Weight249.10 g/mol
Exact Mass248.02
IUPAC Name4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCC2CCCO2)n1
InChIInChI=1S/C8H10Cl2N4O/c9-6-12-7(10)14-8(13-6)11-4-5-2-1-3-15-5/h5H,1-4H2,(H,11,12,13,14)
InChIKeySSYGLIPLCLNTLR-UHFFFAOYSA-N
XLogP1.77
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.77
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-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine (CID 60727030) is 4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(NCC2CCCO2)n1.
What is the InChIKey of 4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is SSYGLIPLCLNTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4O/c9-6-12-7(10)14-8(13-6)11-4-5-2-1-3-15-5/h5H,1-4H2,(H,11,12,13,14).
What are the key properties of 4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 249.10 g/mol, XLogP of 1.77, 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-(oxolan-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 60727030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).