2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine

C16H18ClN3O2 — CID 174501859

IUPAC2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine
SMILESCC1C(Cl)OCCN1c1nccc(COc2ccccc2)n1
InChIInChI=1S/C16H18ClN3O2/c1-12-15(17)21-10-9-20(12)16-18-8-7-13(19-16)11-22-14-5-3-2-4-6-14/h2-8,12,15H,9-11H2,1H3
InChIKeyHZIQBPKYMBNVSO-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine

2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine (PubChem CID 174501859) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine
PubChem CID174501859
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine
SMILESCC1C(Cl)OCCN1c1nccc(COc2ccccc2)n1
InChIInChI=1S/C16H18ClN3O2/c1-12-15(17)21-10-9-20(12)16-18-8-7-13(19-16)11-22-14-5-3-2-4-6-14/h2-8,12,15H,9-11H2,1H3
InChIKeyHZIQBPKYMBNVSO-UHFFFAOYSA-N
XLogP2.85
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(phenoxymethyl)pyrimidin-2-yl]-2-azaspiro[3.3]heptan-6-one
CID 175849353
[2-(2-methylmorpholin-4-yl)pyrimidin-4-yl]methanamine
CID 107541477
4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 133310050
4-[6-(phenoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
CID 58137077
5-methyl-2-(phenoxymethyl)pyridine
CID 123739450
4-(chloromethyl)-2-(phenoxymethyl)pyrimidine
CID 62746871
7-[4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-1-oxa-7-azaspiro[3.5]nonane
CID 176625711
3-oxido-2-(phenoxymethyl)-1,3-oxazolidine
CID 88846118
ethane;4-hydroxy-3-methyl-2-(4-phenylmethoxyphenyl)morpholine
CID 174770002
2-[4-[[4-[2-(4-trityloxyphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-1,2-thiazolidine 1,1-dioxide
CID 167437182
4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 176626342
[2-(2-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542053

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine (CID 174501859) is 2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine is CC1C(Cl)OCCN1c1nccc(COc2ccccc2)n1.
What is the InChIKey of 2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine?
The InChIKey is HZIQBPKYMBNVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-12-15(17)21-10-9-20(12)16-18-8-7-13(19-16)11-22-14-5-3-2-4-6-14/h2-8,12,15H,9-11H2,1H3.
What are the key properties of 2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine?
2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine has a molecular weight of 319.79 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-4-[4-(phenoxymethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 174501859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).