4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine

Name: 4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₁ClN₄O₂ — CID 58137240

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine

SMILESClc1ccccc1COCc1cc(N2CCOCC2)nc(-c2ccccn2)n1

InChIInChI=1S/C21H21ClN4O2/c22-18-6-2-1-5-16(18)14-28-15-17-13-20(26-9-11-27-12-10-26)25-21(24-17)19-7-3-4-8-23-19/h1-8,13H,9-12,14-15H2

InChIKeyCKPYVYMOAVPPOX-UHFFFAOYSA-N

MW396.88 g/mol

LogP3.75

Rot. Bonds6

About 4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine

4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine (PubChem CID 58137240) has the molecular formula C₂₁H₂₁ClN₄O₂ and a molecular weight of 396.88 g/mol. Its IUPAC name is 4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name	4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
PubChem CID	58137240
Molecular Formula	C₂₁H₂₁ClN₄O₂
Molecular Weight	396.88 g/mol
Exact Mass	396.14
IUPAC Name	4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
SMILES	Clc1ccccc1COCc1cc(N2CCOCC2)nc(-c2ccccn2)n1
InChI	InChI=1S/C21H21ClN4O2/c22-18-6-2-1-5-16(18)14-28-15-17-13-20(26-9-11-27-12-10-26)25-21(24-17)19-7-3-4-8-23-19/h1-8,13H,9-12,14-15H2
InChIKey	CKPYVYMOAVPPOX-UHFFFAOYSA-N
XLogP	3.75
TPSA	60.37 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.88
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?

The IUPAC name of 4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine (CID 58137240) is 4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine.

What is the SMILES notation for 4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?

The canonical SMILES for 4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine is Clc1ccccc1COCc1cc(N2CCOCC2)nc(-c2ccccn2)n1.

What is the InChIKey of 4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?

The InChIKey is CKPYVYMOAVPPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-18-6-2-1-5-16(18)14-28-15-17-13-20(26-9-11-27-12-10-26)25-21(24-17)19-7-3-4-8-23-19/h1-8,13H,9-12,14-15H2.

What are the key properties of 4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine?

4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine has a molecular weight of 396.88 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 58137240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 58137240 — identifiers, structure, computed properties (public domain)

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