4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine

C11H16ClN3 — CID 164662191

IUPAC4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine
SMILESCCC1CN(Cc2nc(C)cc(Cl)n2)C1
InChIInChI=1S/C11H16ClN3/c1-3-9-5-15(6-9)7-11-13-8(2)4-10(12)14-11/h4,9H,3,5-7H2,1-2H3
InChIKeyOGSRHKPEOZHPAY-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.28
Rot. Bonds3

About 4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine

4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine (PubChem CID 164662191) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine
PubChem CID164662191
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine
SMILESCCC1CN(Cc2nc(C)cc(Cl)n2)C1
InChIInChI=1S/C11H16ClN3/c1-3-9-5-15(6-9)7-11-13-8(2)4-10(12)14-11/h4,9H,3,5-7H2,1-2H3
InChIKeyOGSRHKPEOZHPAY-UHFFFAOYSA-N
XLogP2.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine (CID 164662191) is 4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine is CCC1CN(Cc2nc(C)cc(Cl)n2)C1.
What is the InChIKey of 4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine?
The InChIKey is OGSRHKPEOZHPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-3-9-5-15(6-9)7-11-13-8(2)4-10(12)14-11/h4,9H,3,5-7H2,1-2H3.
What are the key properties of 4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine?
4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine has a molecular weight of 225.72 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine is sourced from PubChem (CID 164662191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).