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

C13H20ClN5 — CID 62864019

IUPAC4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCC2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H20ClN5/c14-11-16-12(15-9-10-5-1-2-6-10)18-13(17-11)19-7-3-4-8-19/h10H,1-9H2,(H,15,16,17,18)
InChIKeyVZNXGTFAIAAYNW-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.73
Rot. Bonds4

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

4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 62864019) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID62864019
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCC2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H20ClN5/c14-11-16-12(15-9-10-5-1-2-6-10)18-13(17-11)19-7-3-4-8-19/h10H,1-9H2,(H,15,16,17,18)
InChIKeyVZNXGTFAIAAYNW-UHFFFAOYSA-N
XLogP2.73
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 62864019) is 4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Clc1nc(NCC2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VZNXGTFAIAAYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c14-11-16-12(15-9-10-5-1-2-6-10)18-13(17-11)19-7-3-4-8-19/h10H,1-9H2,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 281.79 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopentylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).