4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine

C8H10Cl2N4O — CID 62868886

IUPAC4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NC2CCOCC2)n1
InChIInChI=1S/C8H10Cl2N4O/c9-6-12-7(10)14-8(13-6)11-5-1-3-15-4-2-5/h5H,1-4H2,(H,11,12,13,14)
InChIKeyUBAJNGYNJRXPQY-UHFFFAOYSA-N
MW249.10 g/mol
LogP1.77
Rot. Bonds2

About 4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine (PubChem CID 62868886) has the molecular formula C8H10Cl2N4O and a molecular weight of 249.10 g/mol. Its IUPAC name is 4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine
PubChem CID62868886
Molecular FormulaC8H10Cl2N4O
Molecular Weight249.10 g/mol
Exact Mass248.02
IUPAC Name4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NC2CCOCC2)n1
InChIInChI=1S/C8H10Cl2N4O/c9-6-12-7(10)14-8(13-6)11-5-1-3-15-4-2-5/h5H,1-4H2,(H,11,12,13,14)
InChIKeyUBAJNGYNJRXPQY-UHFFFAOYSA-N
XLogP1.77
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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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Related Compounds

4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62863362
4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63705913
4,6-dimethoxy-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62861073
1,4-dioxane;2,4,6-trichloro-1,3,5-triazine
CID 175183394
6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 80827381
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine
CID 103064279
6-chloro-2-N-cyclohexyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 779526
6-chloro-2-N-cyclohexyl-4-N-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 4181531
4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine
CID 167222890

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine (CID 62868886) is 4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(NC2CCOCC2)n1.
What is the InChIKey of 4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
The InChIKey is UBAJNGYNJRXPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4O/c9-6-12-7(10)14-8(13-6)11-5-1-3-15-4-2-5/h5H,1-4H2,(H,11,12,13,14).
What are the key properties of 4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine has a molecular weight of 249.10 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).