4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine

C10H15ClN4S — CID 80890101

IUPAC4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(SC2CCCC2)n1
InChIInChI=1S/C10H15ClN4S/c1-2-12-9-13-8(11)14-10(15-9)16-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyOXPWAUJDEHPZTJ-UHFFFAOYSA-N
MW258.78 g/mol
LogP2.99
Rot. Bonds4

About 4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine

4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80890101) has the molecular formula C10H15ClN4S and a molecular weight of 258.78 g/mol. Its IUPAC name is 4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80890101
Molecular FormulaC10H15ClN4S
Molecular Weight258.78 g/mol
Exact Mass258.07
IUPAC Name4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(SC2CCCC2)n1
InChIInChI=1S/C10H15ClN4S/c1-2-12-9-13-8(11)14-10(15-9)16-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyOXPWAUJDEHPZTJ-UHFFFAOYSA-N
XLogP2.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-6-(3-methylcyclohexyl)sulfanyl-1,3,5-triazin-2-amine
CID 80889227
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
CID 80869196
4-chloro-6-cyclohexylsulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62867904
4-cyclopentylsulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80888903
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285
4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 107765830
6-chloro-2-N-(cyclohexylmethyl)-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800037
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 82752307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine (CID 80890101) is 4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(SC2CCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is OXPWAUJDEHPZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S/c1-2-12-9-13-8(11)14-10(15-9)16-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,12,13,14,15).
What are the key properties of 4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 258.78 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentylsulfanyl-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80890101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).