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

C11H17ClN4O2 — CID 114179316

IUPACN-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCCC2CCl)nc(OC)n1
InChIInChI=1S/C11H17ClN4O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-5-3-4-7(8)6-12/h7-8H,3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyWKGWYGVNFOWIQD-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.71
Rot. Bonds5

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

N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 114179316) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID114179316
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCCC2CCl)nc(OC)n1
InChIInChI=1S/C11H17ClN4O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-5-3-4-7(8)6-12/h7-8H,3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyWKGWYGVNFOWIQD-UHFFFAOYSA-N
XLogP1.71
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.71
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-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 114179316) is N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(NC2CCCC2CCl)nc(OC)n1.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is WKGWYGVNFOWIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-17-10-14-9(15-11(16-10)18-2)13-8-5-3-4-7(8)6-12/h7-8H,3-6H2,1-2H3,(H,13,14,15,16).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 272.74 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114179316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).