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

C8H10Cl2N6 — CID 911356

IUPAC[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide
SMILESCN(C)c1nc(Cl)nc(N(C#N)CCCl)n1
InChIInChI=1S/C8H10Cl2N6/c1-15(2)7-12-6(10)13-8(14-7)16(5-11)4-3-9/h3-4H2,1-2H3
InChIKeyHVGQKNRYMZDGPJ-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.12
Rot. Bonds4

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

[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide (PubChem CID 911356) has the molecular formula C8H10Cl2N6 and a molecular weight of 261.12 g/mol. Its IUPAC name is [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide.

Molecular Properties

Compound Name[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide
PubChem CID911356
Molecular FormulaC8H10Cl2N6
Molecular Weight261.12 g/mol
Exact Mass260.03
IUPAC Name[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide
SMILESCN(C)c1nc(Cl)nc(N(C#N)CCCl)n1
InChIInChI=1S/C8H10Cl2N6/c1-15(2)7-12-6(10)13-8(14-7)16(5-11)4-3-9/h3-4H2,1-2H3
InChIKeyHVGQKNRYMZDGPJ-UHFFFAOYSA-N
XLogP1.12
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-chloroethyl)cyanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylacetamide
CID 3130269
2-chloroethoxymethyl-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]cyanamide
CID 611073
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]propanenitrile
CID 62864840
azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135
methyl 2-[cyano-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate
CID 654168
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 62864502
6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3132066
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 81061963
1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 62864855
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62863273
2-N-butan-2-yl-6-chloro-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55125314
6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 55125269

Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide?
The IUPAC name of [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide (CID 911356) is [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide.
What is the SMILES notation for [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide?
The canonical SMILES for [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide is CN(C)c1nc(Cl)nc(N(C#N)CCCl)n1.
What is the InChIKey of [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide?
The InChIKey is HVGQKNRYMZDGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N6/c1-15(2)7-12-6(10)13-8(14-7)16(5-11)4-3-9/h3-4H2,1-2H3.
What are the key properties of [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide?
[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide has a molecular weight of 261.12 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethyl)cyanamide is sourced from PubChem (CID 911356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).