4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine

C14H22ClN5 — CID 62863298

IUPAC4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C14H22ClN5/c1-19(2)13-16-12(15)17-14(18-13)20-9-5-8-11(20)10-6-3-4-7-10/h10-11H,3-9H2,1-2H3
InChIKeyZOQNUPLRZYTHQM-UHFFFAOYSA-N
MW295.82 g/mol
LogP2.75
Rot. Bonds3

About 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 62863298) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID62863298
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C14H22ClN5/c1-19(2)13-16-12(15)17-14(18-13)20-9-5-8-11(20)10-6-3-4-7-10/h10-11H,3-9H2,1-2H3
InChIKeyZOQNUPLRZYTHQM-UHFFFAOYSA-N
XLogP2.75
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 62863298) is 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is ZOQNUPLRZYTHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5/c1-19(2)13-16-12(15)17-14(18-13)20-9-5-8-11(20)10-6-3-4-7-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 295.82 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).