2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol

C14H18ClN5O — CID 106196572

IUPAC2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol
SMILESCCN(CC)c1nc(Cl)nc(NCc2ccccc2O)n1
InChIInChI=1S/C14H18ClN5O/c1-3-20(4-2)14-18-12(15)17-13(19-14)16-9-10-7-5-6-8-11(10)21/h5-8,21H,3-4,9H2,1-2H3,(H,16,17,18,19)
InChIKeyMXNHCKLOBQJLMW-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.69
Rot. Bonds6

About 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol

2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol (PubChem CID 106196572) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol
PubChem CID106196572
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol
SMILESCCN(CC)c1nc(Cl)nc(NCc2ccccc2O)n1
InChIInChI=1S/C14H18ClN5O/c1-3-20(4-2)14-18-12(15)17-13(19-14)16-9-10-7-5-6-8-11(10)21/h5-8,21H,3-4,9H2,1-2H3,(H,16,17,18,19)
InChIKeyMXNHCKLOBQJLMW-UHFFFAOYSA-N
XLogP2.69
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol 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 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol?
The IUPAC name of 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol (CID 106196572) is 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol?
The canonical SMILES for 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol is CCN(CC)c1nc(Cl)nc(NCc2ccccc2O)n1.
What is the InChIKey of 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol?
The InChIKey is MXNHCKLOBQJLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-3-20(4-2)14-18-12(15)17-13(19-14)16-9-10-7-5-6-8-11(10)21/h5-8,21H,3-4,9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol?
2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol has a molecular weight of 307.79 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol is sourced from PubChem (CID 106196572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).