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

C7H11ClN4O — CID 80861118

IUPAC4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine
SMILESCC(C)(C)Oc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H11ClN4O/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H2,9,10,11,12)
InChIKeyCNKNZDWUOQXWDR-UHFFFAOYSA-N
MW202.65 g/mol
LogP1.28
Rot. Bonds1

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

4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine (PubChem CID 80861118) has the molecular formula C7H11ClN4O and a molecular weight of 202.65 g/mol. Its IUPAC name is 4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine
PubChem CID80861118
Molecular FormulaC7H11ClN4O
Molecular Weight202.65 g/mol
Exact Mass202.06
IUPAC Name4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine
SMILESCC(C)(C)Oc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H11ClN4O/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H2,9,10,11,12)
InChIKeyCNKNZDWUOQXWDR-UHFFFAOYSA-N
XLogP1.28
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine (CID 80861118) is 4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine is CC(C)(C)Oc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine?
The InChIKey is CNKNZDWUOQXWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H2,9,10,11,12).
What are the key properties of 4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine?
4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine has a molecular weight of 202.65 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).