4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine

C7H10Cl2N4O — CID 138469020

IUPAC4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine
SMILESCC(C)(C)ONc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H10Cl2N4O/c1-7(2,3)14-13-6-11-4(8)10-5(9)12-6/h1-3H3,(H,10,11,12,13)
InChIKeyCZLYWFIYNPCCCN-UHFFFAOYSA-N
MW237.09 g/mol
LogP2.32
Rot. Bonds2

About 4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine

4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine (PubChem CID 138469020) has the molecular formula C7H10Cl2N4O and a molecular weight of 237.09 g/mol. Its IUPAC name is 4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine
PubChem CID138469020
Molecular FormulaC7H10Cl2N4O
Molecular Weight237.09 g/mol
Exact Mass236.02
IUPAC Name4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine
SMILESCC(C)(C)ONc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H10Cl2N4O/c1-7(2,3)14-13-6-11-4(8)10-5(9)12-6/h1-3H3,(H,10,11,12,13)
InChIKeyCZLYWFIYNPCCCN-UHFFFAOYSA-N
XLogP2.32
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Tert-butoxy)-4,6-dichloro-1,3,5-triazine
CID 20145663
6-[(2-Methylpropan-2-yl)oxy]-1,3,5-triazine-2,4-diamine
CID 69640957
2-Tert-butylperoxy-4,6-dichloro-1,3,5-triazine
CID 119092961
4-Chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 80861118
4-Chloro-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80861235
4,6-dichloro-N-propan-2-yloxy-1,3,5-triazin-2-amine
CID 119089966

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine (CID 138469020) is 4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine is CC(C)(C)ONc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine?
The InChIKey is CZLYWFIYNPCCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N4O/c1-7(2,3)14-13-6-11-4(8)10-5(9)12-6/h1-3H3,(H,10,11,12,13).
What are the key properties of 4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine has a molecular weight of 237.09 g/mol, XLogP of 2.32, 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-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 138469020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).