4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine

C7H11ClN4S — CID 80886573

IUPAC4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(SC)n1
InChIInChI=1S/C7H11ClN4S/c1-3-4-9-6-10-5(8)11-7(12-6)13-2/h3-4H2,1-2H3,(H,9,10,11,12)
InChIKeyPDDOAVNVKXLLGJ-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.07
Rot. Bonds4

About 4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80886573) has the molecular formula C7H11ClN4S and a molecular weight of 218.71 g/mol. Its IUPAC name is 4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
PubChem CID80886573
Molecular FormulaC7H11ClN4S
Molecular Weight218.71 g/mol
Exact Mass218.04
IUPAC Name4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(SC)n1
InChIInChI=1S/C7H11ClN4S/c1-3-4-9-6-10-5(8)11-7(12-6)13-2/h3-4H2,1-2H3,(H,9,10,11,12)
InChIKeyPDDOAVNVKXLLGJ-UHFFFAOYSA-N
XLogP2.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-methylsulfanyl-N-propyl-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

3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-2-ol
CID 107772731
4-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80891820
methyl 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80885429
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
2-N-(2-aminoethyl)-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine;N-[2-[(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]ethyl]-methylboronamidic acid;N-[2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-methylboronamidic acid;methanamine;methane
CID 162187141
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
6-chloro-2-N-(2-ethoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80792148
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1-sulfonamide
CID 80820182
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine (CID 80886573) is 4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(SC)n1.
What is the InChIKey of 4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is PDDOAVNVKXLLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4S/c1-3-4-9-6-10-5(8)11-7(12-6)13-2/h3-4H2,1-2H3,(H,9,10,11,12).
What are the key properties of 4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 218.71 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methylsulfanyl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80886573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).