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

C11H16ClN5O — CID 80713770

IUPAC4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCOC2)nc(N2CCCC2)n1
InChIInChI=1S/C11H16ClN5O/c12-9-14-10(13-8-3-6-18-7-8)16-11(15-9)17-4-1-2-5-17/h8H,1-7H2,(H,13,14,15,16)
InChIKeyARFYZSREMMSHTN-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.33
Rot. Bonds3

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

4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80713770) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80713770
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NC2CCOC2)nc(N2CCCC2)n1
InChIInChI=1S/C11H16ClN5O/c12-9-14-10(13-8-3-6-18-7-8)16-11(15-9)17-4-1-2-5-17/h8H,1-7H2,(H,13,14,15,16)
InChIKeyARFYZSREMMSHTN-UHFFFAOYSA-N
XLogP1.33
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80713770) is 4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Clc1nc(NC2CCOC2)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ARFYZSREMMSHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c12-9-14-10(13-8-3-6-18-7-8)16-11(15-9)17-4-1-2-5-17/h8H,1-7H2,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 269.74 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxolan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80713770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).