4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine

C7H8Cl2N4S — CID 103064279

IUPAC4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NC2CCSC2)n1
InChIInChI=1S/C7H8Cl2N4S/c8-5-11-6(9)13-7(12-5)10-4-1-2-14-3-4/h4H,1-3H2,(H,10,11,12,13)
InChIKeyCPSYENHCSBTRBJ-UHFFFAOYSA-N
MW251.14 g/mol
LogP2.10
Rot. Bonds2

About 4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine (PubChem CID 103064279) has the molecular formula C7H8Cl2N4S and a molecular weight of 251.14 g/mol. Its IUPAC name is 4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine
PubChem CID103064279
Molecular FormulaC7H8Cl2N4S
Molecular Weight251.14 g/mol
Exact Mass249.98
IUPAC Name4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NC2CCSC2)n1
InChIInChI=1S/C7H8Cl2N4S/c8-5-11-6(9)13-7(12-5)10-4-1-2-14-3-4/h4H,1-3H2,(H,10,11,12,13)
InChIKeyCPSYENHCSBTRBJ-UHFFFAOYSA-N
XLogP2.10
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
3-chloro-N-(thiolan-3-yl)pyrazin-2-amine
CID 103064284
4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62868886
2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532811
3-N-(thiolan-3-yl)-1H-1,2,4-triazole-3,5-diamine
CID 103065144
2-N,4-N-bis(thiolan-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 75422707
2-(thiolan-3-ylamino)pyrimidine-5-carboxylic acid
CID 130550908
N-(2,6-dichlorophenyl)thiolan-3-amine
CID 65467790
6-methyl-2-(thiolan-3-ylamino)pyrimidine-4-carbonitrile
CID 107545432
2-chloro-6-ethyl-N-(thiolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322745
2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 103065188

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine (CID 103064279) is 4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(NC2CCSC2)n1.
What is the InChIKey of 4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is CPSYENHCSBTRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N4S/c8-5-11-6(9)13-7(12-5)10-4-1-2-14-3-4/h4H,1-3H2,(H,10,11,12,13).
What are the key properties of 4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 251.14 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(thiolan-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103064279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).