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

C12H14ClN5 — CID 936997

IUPAC6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(CCl)n2)c1C
InChIInChI=1S/C12H14ClN5/c1-7-4-3-5-9(8(7)2)15-12-17-10(6-13)16-11(14)18-12/h3-5H,6H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyUXJDIALRLMIANN-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.55
Rot. Bonds3

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

6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 936997) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID936997
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(CCl)n2)c1C
InChIInChI=1S/C12H14ClN5/c1-7-4-3-5-9(8(7)2)15-12-17-10(6-13)16-11(14)18-12/h3-5H,6H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyUXJDIALRLMIANN-UHFFFAOYSA-N
XLogP2.55
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 933293
6-(chloromethyl)-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 935910
6-(chloromethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 34942
6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
CID 932617
[4-Amino-6-(chloromethyl)(1,3,5-triazin-2-yl)]naphthylamine
CID 935927
6-(Chloromethyl)-N~2~-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 936364
6-(chloromethyl)-N-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 3725036
4,6-Dichloro-N-1-naphthalenyl-1,3,5-triazin-2-amine
CID 35300
{4-Amino-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl}acetonitrile
CID 1249242
6-(chloromethyl)-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine
CID 2393892
2-N-tert-butyl-6-chloro-4-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 778565
N-(2,3-dimethylphenyl)-6-[(4-methyl-1-piperidinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 893547

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine (CID 936997) is 6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine is Cc1cccc(Nc2nc(N)nc(CCl)n2)c1C.
What is the InChIKey of 6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UXJDIALRLMIANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-7-4-3-5-9(8(7)2)15-12-17-10(6-13)16-11(14)18-12/h3-5H,6H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine?
6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 263.73 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 936997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).