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

C14H14ClN3O — CID 3398654

IUPAC4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine
SMILESClc1ccc(-c2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C14H14ClN3O/c15-13-3-1-11(2-4-13)12-9-16-14(17-10-12)18-5-7-19-8-6-18/h1-4,9-10H,5-8H2
InChIKeyKONUTDVCFLDWBY-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.63
Rot. Bonds2

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

4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine (PubChem CID 3398654) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine
PubChem CID3398654
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine
SMILESClc1ccc(-c2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C14H14ClN3O/c15-13-3-1-11(2-4-13)12-9-16-14(17-10-12)18-5-7-19-8-6-18/h1-4,9-10H,5-8H2
InChIKeyKONUTDVCFLDWBY-UHFFFAOYSA-N
XLogP2.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine (CID 3398654) is 4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine is Clc1ccc(-c2cnc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine?
The InChIKey is KONUTDVCFLDWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-13-3-1-11(2-4-13)12-9-16-14(17-10-12)18-5-7-19-8-6-18/h1-4,9-10H,5-8H2.
What are the key properties of 4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine?
4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine has a molecular weight of 275.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 3398654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).