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

C10H16ClN5O — CID 55124807

IUPAC4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOCCNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H16ClN5O/c1-17-7-4-12-9-13-8(11)14-10(15-9)16-5-2-3-6-16/h2-7H2,1H3,(H,12,13,14,15)
InChIKeyLLEXUFCULYKTRL-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.18
Rot. Bonds5

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

4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 55124807) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID55124807
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOCCNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H16ClN5O/c1-17-7-4-12-9-13-8(11)14-10(15-9)16-5-2-3-6-16/h2-7H2,1H3,(H,12,13,14,15)
InChIKeyLLEXUFCULYKTRL-UHFFFAOYSA-N
XLogP1.18
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.18
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-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 55124807) is 4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is COCCNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is LLEXUFCULYKTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-17-7-4-12-9-13-8(11)14-10(15-9)16-5-2-3-6-16/h2-7H2,1H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 257.72 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).