4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine

C16H19N3O — CID 138973898

IUPAC4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
SMILESc1ccc(CCc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C16H19N3O/c1-2-4-14(5-3-1)6-7-15-12-17-16(18-13-15)19-8-10-20-11-9-19/h1-5,12-13H,6-11H2
InChIKeyGJLIUHWZABFXHK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.10
Rot. Bonds4

About 4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine

4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine (PubChem CID 138973898) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
PubChem CID138973898
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
SMILESc1ccc(CCc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C16H19N3O/c1-2-4-14(5-3-1)6-7-15-12-17-16(18-13-15)19-8-10-20-11-9-19/h1-5,12-13H,6-11H2
InChIKeyGJLIUHWZABFXHK-UHFFFAOYSA-N
XLogP2.10
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine (CID 138973898) is 4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine is c1ccc(CCc2cnc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine?
The InChIKey is GJLIUHWZABFXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-4-14(5-3-1)6-7-15-12-17-16(18-13-15)19-8-10-20-11-9-19/h1-5,12-13H,6-11H2.
What are the key properties of 4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine?
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine has a molecular weight of 269.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 138973898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).