5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine

C13H20ClN3O — CID 19892026

IUPAC5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine
SMILESCC(C)(C)N1CCOC(c2cnc(N)c(Cl)c2)C1
InChIInChI=1S/C13H20ClN3O/c1-13(2,3)17-4-5-18-11(8-17)9-6-10(14)12(15)16-7-9/h6-7,11H,4-5,8H2,1-3H3,(H2,15,16)
InChIKeyWRKLIFLQDHTEHM-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.49
Rot. Bonds1

About 5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine

5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine (PubChem CID 19892026) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine
PubChem CID19892026
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine
SMILESCC(C)(C)N1CCOC(c2cnc(N)c(Cl)c2)C1
InChIInChI=1S/C13H20ClN3O/c1-13(2,3)17-4-5-18-11(8-17)9-6-10(14)12(15)16-7-9/h6-7,11H,4-5,8H2,1-3H3,(H2,15,16)
InChIKeyWRKLIFLQDHTEHM-UHFFFAOYSA-N
XLogP2.49
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine?
The IUPAC name of 5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine (CID 19892026) is 5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine.
What is the SMILES notation for 5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine?
The canonical SMILES for 5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine is CC(C)(C)N1CCOC(c2cnc(N)c(Cl)c2)C1.
What is the InChIKey of 5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine?
The InChIKey is WRKLIFLQDHTEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-13(2,3)17-4-5-18-11(8-17)9-6-10(14)12(15)16-7-9/h6-7,11H,4-5,8H2,1-3H3,(H2,15,16).
What are the key properties of 5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine?
5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylmorpholin-2-yl)-3-chloropyridin-2-amine is sourced from PubChem (CID 19892026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).