(2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine

C16H19N3O2 — CID 126836923

IUPAC(2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine
SMILESCOc1ncc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)cn1
InChIInChI=1S/C16H19N3O2/c1-11-15(21-8-7-17-11)13-5-3-12(4-6-13)14-9-18-16(20-2)19-10-14/h3-6,9-11,15,17H,7-8H2,1-2H3/t11-,15+/m0/s1
InChIKeyIUJQUHXPSZGCKL-XHDPSFHLSA-N
MW285.35 g/mol
LogP2.20
Rot. Bonds3

About (2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine

(2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine (PubChem CID 126836923) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine.

Molecular Properties

Compound Name(2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine
PubChem CID126836923
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine
SMILESCOc1ncc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)cn1
InChIInChI=1S/C16H19N3O2/c1-11-15(21-8-7-17-11)13-5-3-12(4-6-13)14-9-18-16(20-2)19-10-14/h3-6,9-11,15,17H,7-8H2,1-2H3/t11-,15+/m0/s1
InChIKeyIUJQUHXPSZGCKL-XHDPSFHLSA-N
XLogP2.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine?
The IUPAC name of (2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine (CID 126836923) is (2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine.
What is the SMILES notation for (2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine?
The canonical SMILES for (2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine is COc1ncc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)cn1.
What is the InChIKey of (2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine?
The InChIKey is IUJQUHXPSZGCKL-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-15(21-8-7-17-11)13-5-3-12(4-6-13)14-9-18-16(20-2)19-10-14/h3-6,9-11,15,17H,7-8H2,1-2H3/t11-,15+/m0/s1.
What are the key properties of (2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine?
(2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine has a molecular weight of 285.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[4-(2-methoxypyrimidin-5-yl)phenyl]-3-methylmorpholine is sourced from PubChem (CID 126836923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).