2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine

C17H20ClN3O — CID 56878398

IUPAC2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine
SMILESCc1cc(C)nc(CN2CCOC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C17H20ClN3O/c1-12-9-13(2)20-17(19-12)11-21-7-8-22-16(10-21)14-3-5-15(18)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3
InChIKeyDRNVGBAVWVJFLW-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.32
Rot. Bonds3

About 2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine

2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine (PubChem CID 56878398) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine
PubChem CID56878398
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine
SMILESCc1cc(C)nc(CN2CCOC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C17H20ClN3O/c1-12-9-13(2)20-17(19-12)11-21-7-8-22-16(10-21)14-3-5-15(18)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3
InChIKeyDRNVGBAVWVJFLW-UHFFFAOYSA-N
XLogP3.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine (CID 56878398) is 2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine is Cc1cc(C)nc(CN2CCOC(c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine?
The InChIKey is DRNVGBAVWVJFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12-9-13(2)20-17(19-12)11-21-7-8-22-16(10-21)14-3-5-15(18)6-4-14/h3-6,9,16H,7-8,10-11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine?
2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine has a molecular weight of 317.82 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine is sourced from PubChem (CID 56878398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).