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

C14H22ClN5O — CID 63833716

IUPAC4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCCOC2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C14H22ClN5O/c15-12-17-13(16-7-10-21-11-5-1-2-6-11)19-14(18-12)20-8-3-4-9-20/h11H,1-10H2,(H,16,17,18,19)
InChIKeyPTBOIHRMGVWMKR-UHFFFAOYSA-N
MW311.82 g/mol
LogP2.50
Rot. Bonds6

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

4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 63833716) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID63833716
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCCOC2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C14H22ClN5O/c15-12-17-13(16-7-10-21-11-5-1-2-6-11)19-14(18-12)20-8-3-4-9-20/h11H,1-10H2,(H,16,17,18,19)
InChIKeyPTBOIHRMGVWMKR-UHFFFAOYSA-N
XLogP2.50
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 63833716) is 4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Clc1nc(NCCOC2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PTBOIHRMGVWMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O/c15-12-17-13(16-7-10-21-11-5-1-2-6-11)19-14(18-12)20-8-3-4-9-20/h11H,1-10H2,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 311.82 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63833716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).