2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine

C8H8Cl2FN3O — CID 87758080

IUPAC2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine
SMILESCOC1CN(c2nc(Cl)nc(Cl)c2F)C1
InChIInChI=1S/C8H8Cl2FN3O/c1-15-4-2-14(3-4)7-5(11)6(9)12-8(10)13-7/h4H,2-3H2,1H3
InChIKeyGJQWWTPAIVLHAX-UHFFFAOYSA-N
MW252.08 g/mol
LogP1.76
Rot. Bonds2

About 2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine

2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine (PubChem CID 87758080) has the molecular formula C8H8Cl2FN3O and a molecular weight of 252.08 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine
PubChem CID87758080
Molecular FormulaC8H8Cl2FN3O
Molecular Weight252.08 g/mol
Exact Mass251.00
IUPAC Name2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine
SMILESCOC1CN(c2nc(Cl)nc(Cl)c2F)C1
InChIInChI=1S/C8H8Cl2FN3O/c1-15-4-2-14(3-4)7-5(11)6(9)12-8(10)13-7/h4H,2-3H2,1H3
InChIKeyGJQWWTPAIVLHAX-UHFFFAOYSA-N
XLogP1.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.08
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine?
The IUPAC name of 2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine (CID 87758080) is 2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine is COC1CN(c2nc(Cl)nc(Cl)c2F)C1.
What is the InChIKey of 2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine?
The InChIKey is GJQWWTPAIVLHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FN3O/c1-15-4-2-14(3-4)7-5(11)6(9)12-8(10)13-7/h4H,2-3H2,1H3.
What are the key properties of 2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine?
2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine has a molecular weight of 252.08 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine is sourced from PubChem (CID 87758080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).