6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C11H12ClN5O — CID 937086

IUPAC6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CCl)n1
InChIInChI=1S/C11H12ClN5O/c1-18-8-5-3-2-4-7(8)14-11-16-9(6-12)15-10(13)17-11/h2-5H,6H2,1H3,(H3,13,14,15,16,17)
InChIKeyUWNVVXSNBLERAQ-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.94
Rot. Bonds4

About 6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 937086) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID937086
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CCl)n1
InChIInChI=1S/C11H12ClN5O/c1-18-8-5-3-2-4-7(8)14-11-16-9(6-12)15-10(13)17-11/h2-5H,6H2,1H3,(H3,13,14,15,16,17)
InChIKeyUWNVVXSNBLERAQ-UHFFFAOYSA-N
XLogP1.94
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 715055
6-(Chloromethyl)-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
N-(2-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 942531
6-chloro-N,N'-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
6-(chloromethyl)-N-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 932657
N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
CID 853509
N-tert-butyl-6-chloro-N'-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 744431
N-(2-ethoxyphenyl)-6-[(2-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 2950845
6-(4-Methoxy-phenoxymethyl)-N-phenyl-[1,3,5]triazine-2,4-diamine
CID 937121
6-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 941892
N-(4-amino-6-{[4-(4-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)amine
CID 665928
6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-N-phenyl-1,3,5-triazine-2,4-diamine
CID 666183

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 937086) is 6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UWNVVXSNBLERAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-18-8-5-3-2-4-7(8)14-11-16-9(6-12)15-10(13)17-11/h2-5H,6H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 265.70 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 937086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).