4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine

C12H16ClN3O — CID 10125286

IUPAC4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine
SMILESCOC1CN(c2nc(C3CC3)nc(Cl)c2C)C1
InChIInChI=1S/C12H16ClN3O/c1-7-10(13)14-11(8-3-4-8)15-12(7)16-5-9(6-16)17-2/h8-9H,3-6H2,1-2H3
InChIKeyUNZMIUJMTBJJOV-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.15
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine

4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine (PubChem CID 10125286) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine
PubChem CID10125286
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine
SMILESCOC1CN(c2nc(C3CC3)nc(Cl)c2C)C1
InChIInChI=1S/C12H16ClN3O/c1-7-10(13)14-11(8-3-4-8)15-12(7)16-5-9(6-16)17-2/h8-9H,3-6H2,1-2H3
InChIKeyUNZMIUJMTBJJOV-UHFFFAOYSA-N
XLogP2.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine (CID 10125286) is 4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine is COC1CN(c2nc(C3CC3)nc(Cl)c2C)C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine?
The InChIKey is UNZMIUJMTBJJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-7-10(13)14-11(8-3-4-8)15-12(7)16-5-9(6-16)17-2/h8-9H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine has a molecular weight of 253.73 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(3-methoxyazetidin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 10125286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).