4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine

C8H7ClN4S — CID 83241447

IUPAC4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Cc2cccs2)n1
InChIInChI=1S/C8H7ClN4S/c9-7-11-6(12-8(10)13-7)4-5-2-1-3-14-5/h1-3H,4H2,(H2,10,11,12,13)
InChIKeyDBBNBEQGTOIKLY-UHFFFAOYSA-N
MW226.69 g/mol
LogP1.76
Rot. Bonds2

About 4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 83241447) has the molecular formula C8H7ClN4S and a molecular weight of 226.69 g/mol. Its IUPAC name is 4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID83241447
Molecular FormulaC8H7ClN4S
Molecular Weight226.69 g/mol
Exact Mass226.01
IUPAC Name4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Cc2cccs2)n1
InChIInChI=1S/C8H7ClN4S/c9-7-11-6(12-8(10)13-7)4-5-2-1-3-14-5/h1-3H,4H2,(H2,10,11,12,13)
InChIKeyDBBNBEQGTOIKLY-UHFFFAOYSA-N
XLogP1.76
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine 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

4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63867175
4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine
CID 83241885
5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
CID 66294351
6-ethyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 62503227
4,6-dichloro-5-(4-methylphenyl)-2-(thiophen-2-ylmethyl)pyrimidine
CID 79430093
6-tert-butyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 62503226
5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692065
3,6-dichloro-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107050703
5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine
CID 79435670
4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
CID 102617959
[2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62502703

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine (CID 83241447) is 4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(Cc2cccs2)n1.
What is the InChIKey of 4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is DBBNBEQGTOIKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S/c9-7-11-6(12-8(10)13-7)4-5-2-1-3-14-5/h1-3H,4H2,(H2,10,11,12,13).
What are the key properties of 4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 226.69 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83241447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).