[(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone

C13H18ClN3O2 — CID 164638280

IUPAC[(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone
SMILESCC(C)(C)[C@@H]1CN(C(=O)c2ncncc2Cl)CCO1
InChIInChI=1S/C13H18ClN3O2/c1-13(2,3)10-7-17(4-5-19-10)12(18)11-9(14)6-15-8-16-11/h6,8,10H,4-5,7H2,1-3H3/t10-/m0/s1
InChIKeyJQROVLBERIEPFC-JTQLQIEISA-N
MW283.76 g/mol
LogP2.02
Rot. Bonds1

About [(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone

[(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone (PubChem CID 164638280) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is [(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone
PubChem CID164638280
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name[(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone
SMILESCC(C)(C)[C@@H]1CN(C(=O)c2ncncc2Cl)CCO1
InChIInChI=1S/C13H18ClN3O2/c1-13(2,3)10-7-17(4-5-19-10)12(18)11-9(14)6-15-8-16-11/h6,8,10H,4-5,7H2,1-3H3/t10-/m0/s1
InChIKeyJQROVLBERIEPFC-JTQLQIEISA-N
XLogP2.02
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone?
The IUPAC name of [(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone (CID 164638280) is [(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone?
The canonical SMILES for [(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone is CC(C)(C)[C@@H]1CN(C(=O)c2ncncc2Cl)CCO1.
What is the InChIKey of [(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone?
The InChIKey is JQROVLBERIEPFC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-13(2,3)10-7-17(4-5-19-10)12(18)11-9(14)6-15-8-16-11/h6,8,10H,4-5,7H2,1-3H3/t10-/m0/s1.
What are the key properties of [(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone?
[(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone has a molecular weight of 283.76 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-tert-butylmorpholin-4-yl]-(5-chloropyrimidin-4-yl)methanone is sourced from PubChem (CID 164638280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).