[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide

C14H15ClN6O — CID 614541

IUPAC[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
SMILESCN(C)c1nc(Cl)nc(N(C#N)CCOc2ccccc2)n1
InChIInChI=1S/C14H15ClN6O/c1-20(2)13-17-12(15)18-14(19-13)21(10-16)8-9-22-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeyUUCKQQFJPSRZRH-UHFFFAOYSA-N
MW318.77 g/mol
LogP1.96
Rot. Bonds6

About [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide

[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide (PubChem CID 614541) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide.

Molecular Properties

Compound Name[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
PubChem CID614541
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC Name[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
SMILESCN(C)c1nc(Cl)nc(N(C#N)CCOc2ccccc2)n1
InChIInChI=1S/C14H15ClN6O/c1-20(2)13-17-12(15)18-14(19-13)21(10-16)8-9-22-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChIKeyUUCKQQFJPSRZRH-UHFFFAOYSA-N
XLogP1.96
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide 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 [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
The IUPAC name of [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide (CID 614541) is [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide.
What is the SMILES notation for [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
The canonical SMILES for [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide is CN(C)c1nc(Cl)nc(N(C#N)CCOc2ccccc2)n1.
What is the InChIKey of [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
The InChIKey is UUCKQQFJPSRZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-20(2)13-17-12(15)18-14(19-13)21(10-16)8-9-22-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3.
What are the key properties of [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide?
[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide has a molecular weight of 318.77 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide is sourced from PubChem (CID 614541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).