N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine

C11H19ClN4O2 — CID 65028208

IUPACN-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCCC(CC)(CCl)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C11H19ClN4O2/c1-5-11(6-2,7-12)16-8-13-9(17-3)15-10(14-8)18-4/h5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyXWQKCWWZTIZDEH-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.10
Rot. Bonds7

About N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine

N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 65028208) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID65028208
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC NameN-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCCC(CC)(CCl)Nc1nc(OC)nc(OC)n1
InChIInChI=1S/C11H19ClN4O2/c1-5-11(6-2,7-12)16-8-13-9(17-3)15-10(14-8)18-4/h5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyXWQKCWWZTIZDEH-UHFFFAOYSA-N
XLogP2.10
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 65028208) is N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine is CCC(CC)(CCl)Nc1nc(OC)nc(OC)n1.
What is the InChIKey of N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is XWQKCWWZTIZDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2/c1-5-11(6-2,7-12)16-8-13-9(17-3)15-10(14-8)18-4/h5-7H2,1-4H3,(H,13,14,15,16).
What are the key properties of N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 274.75 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)pentan-3-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 65028208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).