4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C15H24ClN5 — CID 62862702

IUPAC4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CCCCC1Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C15H24ClN5/c1-2-11-7-3-4-8-12(11)17-14-18-13(16)19-15(20-14)21-9-5-6-10-21/h11-12H,2-10H2,1H3,(H,17,18,19,20)
InChIKeyYSJPCZAFZDHNNZ-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.51
Rot. Bonds4

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

4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 62862702) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID62862702
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCC1CCCCC1Nc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C15H24ClN5/c1-2-11-7-3-4-8-12(11)17-14-18-13(16)19-15(20-14)21-9-5-6-10-21/h11-12H,2-10H2,1H3,(H,17,18,19,20)
InChIKeyYSJPCZAFZDHNNZ-UHFFFAOYSA-N
XLogP3.51
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 62862702) is 4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCC1CCCCC1Nc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is YSJPCZAFZDHNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-2-11-7-3-4-8-12(11)17-14-18-13(16)19-15(20-14)21-9-5-6-10-21/h11-12H,2-10H2,1H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 309.85 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62862702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).