2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine

C13H20ClN5O — CID 63170853

IUPAC2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C13H20ClN5O/c1-2-20-13-16-11(14)15-12(17-13)19-8-5-10(9-19)18-6-3-4-7-18/h10H,2-9H2,1H3
InChIKeyLMMXROHDWDOKPS-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.60
Rot. Bonds4

About 2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine

2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine (PubChem CID 63170853) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine
PubChem CID63170853
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C13H20ClN5O/c1-2-20-13-16-11(14)15-12(17-13)19-8-5-10(9-19)18-6-3-4-7-18/h10H,2-9H2,1H3
InChIKeyLMMXROHDWDOKPS-UHFFFAOYSA-N
XLogP1.60
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine (CID 63170853) is 2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine is CCOc1nc(Cl)nc(N2CCC(N3CCCC3)C2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine?
The InChIKey is LMMXROHDWDOKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-2-20-13-16-11(14)15-12(17-13)19-8-5-10(9-19)18-6-3-4-7-18/h10H,2-9H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine?
2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine has a molecular weight of 297.79 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 63170853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).