5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine

C11H16ClN3 — CID 130920630

IUPAC5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine
SMILESCc1nc(N2CC(C)(C)C2)ncc1CCl
InChIInChI=1S/C11H16ClN3/c1-8-9(4-12)5-13-10(14-8)15-6-11(2,3)7-15/h5H,4,6-7H2,1-3H3
InChIKeyLYUGWPVVOFYTKR-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.37
Rot. Bonds2

About 5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine

5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine (PubChem CID 130920630) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine
PubChem CID130920630
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine
SMILESCc1nc(N2CC(C)(C)C2)ncc1CCl
InChIInChI=1S/C11H16ClN3/c1-8-9(4-12)5-13-10(14-8)15-6-11(2,3)7-15/h5H,4,6-7H2,1-3H3
InChIKeyLYUGWPVVOFYTKR-UHFFFAOYSA-N
XLogP2.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-2-(4,4-dimethylpiperidin-1-yl)-4-methylpyrimidine
CID 83183802
4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
CID 83184651
5-(chloromethyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 83184569
1-[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189014
5-(chloromethyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 83184845
5-(chloromethyl)-4-methyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 83184417
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpiperidin-3-amine
CID 83184413
N-[[2-(3,3-dimethylpyrrolidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83189092
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-4,5,6,7-tetrahydrobenzimidazole
CID 83184333
4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine
CID 83184055
1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-2,3,3a,4,5,6,7,7a-octahydroindole
CID 83183891
4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]-3-methylthiomorpholine
CID 83184152

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine (CID 130920630) is 5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine is Cc1nc(N2CC(C)(C)C2)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine?
The InChIKey is LYUGWPVVOFYTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-9(4-12)5-13-10(14-8)15-6-11(2,3)7-15/h5H,4,6-7H2,1-3H3.
What are the key properties of 5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine?
5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine has a molecular weight of 225.72 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(3,3-dimethylazetidin-1-yl)-4-methylpyrimidine is sourced from PubChem (CID 130920630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).