2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine

C11H18ClN3O2 — CID 63205061

IUPAC2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(C(C(C)C)C(C)Cl)n1
InChIInChI=1S/C11H18ClN3O2/c1-6(2)8(7(3)12)9-13-10(16-4)15-11(14-9)17-5/h6-8H,1-5H3
InChIKeyIWBDCYXICNGJJI-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.26
Rot. Bonds5

About 2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine

2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 63205061) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine
PubChem CID63205061
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(C(C(C)C)C(C)Cl)n1
InChIInChI=1S/C11H18ClN3O2/c1-6(2)8(7(3)12)9-13-10(16-4)15-11(14-9)17-5/h6-8H,1-5H3
InChIKeyIWBDCYXICNGJJI-UHFFFAOYSA-N
XLogP2.26
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine (CID 63205061) is 2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(C(C(C)C)C(C)Cl)n1.
What is the InChIKey of 2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is IWBDCYXICNGJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-6(2)8(7(3)12)9-13-10(16-4)15-11(14-9)17-5/h6-8H,1-5H3.
What are the key properties of 2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine?
2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 259.74 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylpentan-3-yl)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 63205061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).