N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

C10H17ClN4O2 — CID 66091802

IUPACN-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCC(C)CCCl)nc(OC)n1
InChIInChI=1S/C10H17ClN4O2/c1-7(4-5-11)6-12-8-13-9(16-2)15-10(14-8)17-3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyOYVCJGRJBYNDSA-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.57
Rot. Bonds7

About N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 66091802) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID66091802
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC NameN-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCC(C)CCCl)nc(OC)n1
InChIInChI=1S/C10H17ClN4O2/c1-7(4-5-11)6-12-8-13-9(16-2)15-10(14-8)17-3/h7H,4-6H2,1-3H3,(H,12,13,14,15)
InChIKeyOYVCJGRJBYNDSA-UHFFFAOYSA-N
XLogP1.57
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.57
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-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 66091802) is N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(NCC(C)CCCl)nc(OC)n1.
What is the InChIKey of N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is OYVCJGRJBYNDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-7(4-5-11)6-12-8-13-9(16-2)15-10(14-8)17-3/h7H,4-6H2,1-3H3,(H,12,13,14,15).
What are the key properties of N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 260.72 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 66091802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).