2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine

C12H16Cl2N4 — CID 62870452

IUPAC2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine
SMILESClc1nc(Cl)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C12H16Cl2N4/c13-10-15-11(14)17-12(16-10)18-7-3-6-9(18)8-4-1-2-5-8/h8-9H,1-7H2
InChIKeyNKHSOZBFKOKHHB-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.34
Rot. Bonds2

About 2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine

2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine (PubChem CID 62870452) has the molecular formula C12H16Cl2N4 and a molecular weight of 287.19 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine
PubChem CID62870452
Molecular FormulaC12H16Cl2N4
Molecular Weight287.19 g/mol
Exact Mass286.08
IUPAC Name2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine
SMILESClc1nc(Cl)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C12H16Cl2N4/c13-10-15-11(14)17-12(16-10)18-7-3-6-9(18)8-4-1-2-5-8/h8-9H,1-7H2
InChIKeyNKHSOZBFKOKHHB-UHFFFAOYSA-N
XLogP3.34
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
CID 55124733
2-Chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-ethoxy-1,3,5-triazine
CID 62858235
4-chloro-N-methyl-N-(4-methylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62862689
4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62863080
2-(4-Chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane
CID 62863249
2-(4-Chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane
CID 62863250
2-Chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazine
CID 62863296
2-Chloro-4-(2-cyclopentylpyrrolidin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62863297
4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62863298
4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
CID 62863425
4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864019
4-chloro-N-(cyclohexylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864082

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine (CID 62870452) is 2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine is Clc1nc(Cl)nc(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine?
The InChIKey is NKHSOZBFKOKHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N4/c13-10-15-11(14)17-12(16-10)18-7-3-6-9(18)8-4-1-2-5-8/h8-9H,1-7H2.
What are the key properties of 2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine?
2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine has a molecular weight of 287.19 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-cyclopentylpyrrolidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62870452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).