4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine

C10H14ClN3O — CID 130548007

IUPAC4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine
SMILESCOC1CN(c2nc(C)nc(Cl)c2C)C1
InChIInChI=1S/C10H14ClN3O/c1-6-9(11)12-7(2)13-10(6)14-4-8(5-14)15-3/h8H,4-5H2,1-3H3
InChIKeyQMSCWSYGQCKXKJ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.58
Rot. Bonds2

About 4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine

4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine (PubChem CID 130548007) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine
PubChem CID130548007
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine
SMILESCOC1CN(c2nc(C)nc(Cl)c2C)C1
InChIInChI=1S/C10H14ClN3O/c1-6-9(11)12-7(2)13-10(6)14-4-8(5-14)15-3/h8H,4-5H2,1-3H3
InChIKeyQMSCWSYGQCKXKJ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine (CID 130548007) is 4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine is COC1CN(c2nc(C)nc(Cl)c2C)C1.
What is the InChIKey of 4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine?
The InChIKey is QMSCWSYGQCKXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6-9(11)12-7(2)13-10(6)14-4-8(5-14)15-3/h8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine?
4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine has a molecular weight of 227.69 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine is sourced from PubChem (CID 130548007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).