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

C14H12ClN5 — CID 932617

IUPAC6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CCl)nc(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H12ClN5/c15-8-12-18-13(16)20-14(19-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H3,16,17,18,19,20)
InChIKeyTUHLIPYSHRIRKP-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.09
Rot. Bonds3

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

6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 932617) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID932617
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CCl)nc(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H12ClN5/c15-8-12-18-13(16)20-14(19-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H3,16,17,18,19,20)
InChIKeyTUHLIPYSHRIRKP-UHFFFAOYSA-N
XLogP3.09
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine (CID 932617) is 6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine is Nc1nc(CCl)nc(Nc2ccc3ccccc3c2)n1.
What is the InChIKey of 6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is TUHLIPYSHRIRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c15-8-12-18-13(16)20-14(19-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H3,16,17,18,19,20).
What are the key properties of 6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine?
6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 285.74 g/mol, XLogP of 3.09, 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-naphthalen-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 932617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).