4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine

C8H13ClN4O — CID 102989508

IUPAC4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCC(C)Oc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H13ClN4O/c1-3-4-5(2)14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyWIHOAZGDQGOAEN-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.67
Rot. Bonds4

About 4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 102989508) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID102989508
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine
SMILESCCCC(C)Oc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H13ClN4O/c1-3-4-5(2)14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyWIHOAZGDQGOAEN-UHFFFAOYSA-N
XLogP1.67
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine (CID 102989508) is 4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine is CCCC(C)Oc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is WIHOAZGDQGOAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-3-4-5(2)14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 216.67 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pentan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 102989508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).