4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine

C10H14ClN3O — CID 83184651

IUPAC4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
SMILESCc1nc(N2CCOCC2)ncc1CCl
InChIInChI=1S/C10H14ClN3O/c1-8-9(6-11)7-12-10(13-8)14-2-4-15-5-3-14/h7H,2-6H2,1H3
InChIKeyBWFZJWITMGUFNG-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.36
Rot. Bonds2

About 4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine

4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine (PubChem CID 83184651) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
PubChem CID83184651
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
SMILESCc1nc(N2CCOCC2)ncc1CCl
InChIInChI=1S/C10H14ClN3O/c1-8-9(6-11)7-12-10(13-8)14-2-4-15-5-3-14/h7H,2-6H2,1H3
InChIKeyBWFZJWITMGUFNG-UHFFFAOYSA-N
XLogP1.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine
CID 83184055
5-(chloromethyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 83184569
5-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4-methylpyrimidine
CID 83183802
5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine
CID 130920630
(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)boronic acid
CID 130120199
5-(chloromethyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 83184845
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
4-[4-(chloromethyl)pyrimidin-2-yl]morpholine
CID 62747047
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 83184333
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
(4-chloro-2-morpholin-4-ylpyrimidin-5-yl)-trimethylsilane
CID 132918077
5-(chloromethyl)-4-methyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 83184417

Frequently Asked Questions

What is the IUPAC name of 4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine (CID 83184651) is 4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine is Cc1nc(N2CCOCC2)ncc1CCl.
What is the InChIKey of 4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine?
The InChIKey is BWFZJWITMGUFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-8-9(6-11)7-12-10(13-8)14-2-4-15-5-3-14/h7H,2-6H2,1H3.
What are the key properties of 4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine?
4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine has a molecular weight of 227.69 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 83184651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).