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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Related Compounds

6-Benzyloxymethyl-5-[4-(4-chloro-benzylamino)-phenyl]-pyrimidine-2,4-diamine
CID 11282247
N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
CID 1476795
4-[2-[(4-Chlorobenzyl)sulfanyl]-6-(methoxymethyl)-4-pyrimidinyl]morpholine
CID 3738221
4-[6-(Methoxymethyl)-2-phenylpyrimidin-4-yl]morpholine
CID 1476663
4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine
CID 2763927
Methyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl ether
CID 1476667
2-(4-Chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine
CID 56862652
US12325701, Example 39.
CID 168678985
(4-Chlorophenyl)(2-(pyridin-2-yl)pyrimidin-4-yl)methanol
CID 44410649
1-[6-(Aminomethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
CID 56709031
1-[6-(2-Aminoethyl)-2-methylpyrimidin-4-yl]-4-(4-chlorophenyl)piperidin-4-ol
CID 56710901
2-(4-Chlorophenyl)-4-[6-(methoxymethyl)pyrimidin-4-yl]morpholine
CID 56867372

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).