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

C11H16ClN3 — CID 131086620

IUPAC4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(CN2CC(C)(C)C2)n1
InChIInChI=1S/C11H16ClN3/c1-8-4-9(12)14-10(13-8)5-15-6-11(2,3)7-15/h4H,5-7H2,1-3H3
InChIKeyRVDZRHIQCKZVSS-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.28
Rot. Bonds2

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

4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine (PubChem CID 131086620) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine
PubChem CID131086620
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(CN2CC(C)(C)C2)n1
InChIInChI=1S/C11H16ClN3/c1-8-4-9(12)14-10(13-8)5-15-6-11(2,3)7-15/h4H,5-7H2,1-3H3
InChIKeyRVDZRHIQCKZVSS-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine (CID 131086620) is 4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine is Cc1cc(Cl)nc(CN2CC(C)(C)C2)n1.
What is the InChIKey of 4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine?
The InChIKey is RVDZRHIQCKZVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8-4-9(12)14-10(13-8)5-15-6-11(2,3)7-15/h4H,5-7H2,1-3H3.
What are the key properties of 4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine?
4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine has a molecular weight of 225.72 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine is sourced from PubChem (CID 131086620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).