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

C21H21ClN4O2 — CID 58137240

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 Name4-[6-[(2-chlorophenyl)methoxymethyl]-2-pyridin-2-ylpyrimidin-4-yl]morpholine
PubChem CID58137240
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name4-[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
XLogP3.75
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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).